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CID 43578049

PubChem CID
43578049
Structure
CID 43578049_small.png
Molecular Formula
Status
Non-live
Molecular Weight
275.35 g/mol
Dates
  • Create:
    2009-07-21

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 43578049.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-amino-6-(5-ethyl-2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one

2.1.2 InChI

InChI=1S/C15H21N3O2/c1-3-11-8-20-9(2)7-18(11)14-6-13-10(4-12(14)16)5-15(19)17-13/h4,6,9,11H,3,5,7-8,16H2,1-2H3,(H,17,19)

2.1.3 InChIKey

ZZASLZXFHBSUMN-UHFFFAOYSA-N

2.1.4 SMILES

CCC1COC(CN1C2=C(C=C3CC(=O)NC3=C2)N)C

2.2 Molecular Formula

C15H21N3O2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
275.35 g/mol
Property Name
XLogP3-AA
Property Value
1.2
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
275.16337692 g/mol
Property Name
Monoisotopic Mass
Property Value
275.16337692 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
376
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS