1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one

C16H23NO — CID 126576001

IUPAC1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2
InChIInChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3
InChIKeyKDVFILIZIPFYLE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.89
Rot. Bonds3

About 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one

1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 126576001) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID126576001
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one
SMILESCCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2
InChIInChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3
InChIKeyKDVFILIZIPFYLE-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one (CID 126576001) is 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one is CCC(CC)c1ccc2c(c1)N(C)C(=O)CCC2.
What is the InChIKey of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is KDVFILIZIPFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-12(5-2)14-10-9-13-7-6-8-16(18)17(3)15(13)11-14/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one?
1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-pentan-3-yl-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 126576001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).