7-Amino-6-methoxy-2,3-dihydro-1H-inden-1-one
PubChem CID
59606780
Structure
Molecular Formula
Synonyms
- 7-Amino-6-methoxy-2,3-dihydro-1H-inden-1-one
- 1154740-87-0
- 7-amino-6-methoxy-2,3-dihydroinden-1-one
- 1H-Inden-1-one, 7-amino-2,3-dihydro-6-methoxy-
- MFCD20462307
Molecular Weight
177.20 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2012-08-20
- Modify:2024-12-07
Chemical Structure Depiction
7-amino-6-methoxy-2,3-dihydroinden-1-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C10H11NO2/c1-13-8-5-3-6-2-4-7(12)9(6)10(8)11/h3,5H,2,4,11H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
NBPAGRDSNBNJDH-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
COC1=C(C2=C(CCC2=O)C=C1)N
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C10H11NO2
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- 7-Amino-6-methoxy-2,3-dihydro-1H-inden-1-one
- 1154740-87-0
- 7-amino-6-methoxy-2,3-dihydroinden-1-one
- 1H-Inden-1-one, 7-amino-2,3-dihydro-6-methoxy-
- MFCD20462307
- SCHEMBL10158550
- DTXSID101255910
- AKOS024057799
- DS-3236
- DB-141005
- CS-0187249
- C71495
- 7-Amino-2,3-dihydro-6-methoxy-1H-inden-1-one
- 7-Amino-6-methoxy-2 pound not3-dihydro-1H-inden-1-one
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
177.20 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.5
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
177.078978594 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
177.078978594 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
52.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
217
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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 2012.05.21)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NBPAGRDSNBNJDH-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/7-Amino-2,3-dihydro-6-methoxy-1H-inden-1-onehttps://commonchemistry.cas.org/detail?cas_rn=1154740-87-0
- EPA DSSTox7-Amino-2,3-dihydro-6-methoxy-1H-inden-1-onehttps://comptox.epa.gov/dashboard/DTXSID101255910
- Japan Chemical Substance Dictionary (Nikkaji)
- PubChem
- PATENTSCOPE (WIPO)SID 392384514https://pubchem.ncbi.nlm.nih.gov/substance/392384514
CONTENTS