8-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

8-methoxy-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Compound Structure:
Synonyms: 8-Methoxy-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one;2H-1-Benzazepin-2-one, 1,3,4,5-tetrahydro-8-methoxy-;8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
Compound ID: NMPC-502
PubChem ID:

676953
Molecular Formula: C11H13NO2
Canonical SMILES: COC1=CC2=C(CCCC(=O)N2)C=C1
InChIKey: BKZDEMMOMTUSPL-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

191.23 g/mol

XLogP3-AA

1.4

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

1

Exact Mass

191.094628657 g/mol

Monoisotopic Mass

191.094628657 g/mol

Topological Polar Surface Area

38.3Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

217

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Vernonia blumeoides
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