8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one

C14H17NO2 — CID 22904998

IUPAC8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESC=CCN1CCCc2ccc(OC)cc2C1=O
InChIInChI=1S/C14H17NO2/c1-3-8-15-9-4-5-11-6-7-12(17-2)10-13(11)14(15)16/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKeyVGAANWLDCUCASE-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.27
Rot. Bonds3

About 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one

8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one (PubChem CID 22904998) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one.

Molecular Properties

Compound Name8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
PubChem CID22904998
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one
SMILESC=CCN1CCCc2ccc(OC)cc2C1=O
InChIInChI=1S/C14H17NO2/c1-3-8-15-9-4-5-11-6-7-12(17-2)10-13(11)14(15)16/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKeyVGAANWLDCUCASE-UHFFFAOYSA-N
XLogP2.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
7-(hydroxymethyl)-2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 129283520
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
propane;2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 91165098
(E)-4-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)but-2-enal
CID 118557992
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
5-[(7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]furan-2-carboxylic acid
CID 82055324
2-prop-2-enyl-3,4-dihydro-2,7-naphthyridin-1-one
CID 166583854
1-[(2E)-2-(6-methoxy-2,3-dihydroinden-1-ylidene)ethyl]pyrrolidine
CID 176832104
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
8-(2-aminoethoxy)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 83853207

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one?
The IUPAC name of 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one (CID 22904998) is 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one.
What is the SMILES notation for 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one?
The canonical SMILES for 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one is C=CCN1CCCc2ccc(OC)cc2C1=O.
What is the InChIKey of 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one?
The InChIKey is VGAANWLDCUCASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-8-15-9-4-5-11-6-7-12(17-2)10-13(11)14(15)16/h3,6-7,10H,1,4-5,8-9H2,2H3.
What are the key properties of 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one?
8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-prop-2-enyl-4,5-dihydro-3H-2-benzazepin-1-one is sourced from PubChem (CID 22904998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).