2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

C14H18N2O — CID 23554994

IUPAC2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1Cc2ccccc2CN(C2CC2)C1=O
InChIInChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyIKTJHYXRAINNMR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.32
Rot. Bonds2

About 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one

2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 23554994) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID23554994
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESCNC1Cc2ccccc2CN(C2CC2)C1=O
InChIInChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3
InChIKeyIKTJHYXRAINNMR-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-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

Lisdexamfetamine
CID 11597698
Epsiprantel
CID 72026
Melinamide
CID 20054967
Leucyl-phenylalanine amide
CID 3082491
(S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
CID 688344
(3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-7-methyl-3-[(2-methylphenyl)methyl]-1,4-diazepan-2-one
CID 11236208
(3S,6S,9aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
CID 11417422
(3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-3-methyl-1,4-diazepan-2-one
CID 23646444
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1-cyclopropyl-3-methyl-1,4-diazepan-2-one
CID 23647122
N-(2-oxoazepan-3-yl)benzamide
CID 2813197
4-methyl-N-(2-oxoazepan-3-yl)benzamide
CID 2813200
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one (CID 23554994) is 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is CNC1Cc2ccccc2CN(C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is IKTJHYXRAINNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-13-8-10-4-2-3-5-11(10)9-16(14(13)17)12-6-7-12/h2-5,12-13,15H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one?
2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 230.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(methylamino)-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 23554994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).