N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID
565773
Structure
Molecular Formula
Synonyms
- 63546-19-0
- N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
- N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
- SMR000146970
- N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-acetamide
Molecular Weight
193.20 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is a benzodioxine.
Chemical Structure Depiction
N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H11NO3/c1-7(12)11-8-2-3-9-10(6-8)14-5-4-13-9/h2-3,6H,4-5H2,1H3,(H,11,12)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
WGRBXYNOOMXHSY-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(=O)NC1=CC2=C(C=C1)OCCO2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H11NO3
Computed by PubChem 2.1 (PubChem release 2019.06.18)
63546-19-0
- 63546-19-0
- N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
- N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
- SMR000146970
- N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-acetamide
- Acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-
- CDS1_002688
- ChemDiv1_018944
- Oprea1_002919
- Oprea1_524522
- MLS000554853
- MLS003151711
- DivK1c_003728
- 6-Acetamido-1,4-benzodioxane
- SCHEMBL5861384
- CHEMBL1431037
- HMS640N02
- DTXSID20340576
- CHEBI:183426
- WGRBXYNOOMXHSY-UHFFFAOYSA-N
- HMS2276I09
- STK069295
- AKOS000266813
- BS-4062
- CCG-103217
- CS-0314642
- N1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
- SR-01000389780
- N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide #
- SR-01000389780-1
- Z27668246
- Acetamide, N-(2,3-dihydro-benzo[b]1,4-dioxin-6-yl)-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
193.20 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
0.8
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
193.07389321 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
193.07389321 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
47.6 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
14
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
219
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
NIST Number
213706
Library
Main library
Total Peaks
101
m/z Top Peak
95
m/z 2nd Highest
193
m/z 3rd Highest
151
Thumbnail
NIST Number
269242
Library
Replicate library
Total Peaks
91
m/z Top Peak
95
m/z 2nd Highest
151
m/z 3rd Highest
193
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=WGRBXYNOOMXHSY-UHFFFAOYSA-N
- ChEBIN1-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamidehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:183426
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- EPA DSSToxN-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamidehttps://comptox.epa.gov/dashboard/DTXSID20340576CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law6-Acetamido-1,4-benzodioxanehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBaseAcetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-https://spectrabase.com/spectrum/IIGjUb3TUxa
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- WikidataN-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamidehttps://www.wikidata.org/wiki/Q82110284
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389504132https://pubchem.ncbi.nlm.nih.gov/substance/389504132
CONTENTS