8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one

C11H13NO — CID 45098257

IUPAC8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESCc1ccc2c(c1)NCCCC2=O
InChIInChI=1S/C11H13NO/c1-8-4-5-9-10(7-8)12-6-2-3-11(9)13/h4-5,7,12H,2-3,6H2,1H3
InChIKeyHIHHGVGQVREQDV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.38
Rot. Bonds

About 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one

8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one (PubChem CID 45098257) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one.

Molecular Properties

Compound Name8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
PubChem CID45098257
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one
SMILESCc1ccc2c(c1)NCCCC2=O
InChIInChI=1S/C11H13NO/c1-8-4-5-9-10(7-8)12-6-2-3-11(9)13/h4-5,7,12H,2-3,6H2,1H3
InChIKeyHIHHGVGQVREQDV-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-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 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The IUPAC name of 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one (CID 45098257) is 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one.
What is the SMILES notation for 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The canonical SMILES for 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one is Cc1ccc2c(c1)NCCCC2=O.
What is the InChIKey of 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
The InChIKey is HIHHGVGQVREQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-4-5-9-10(7-8)12-6-2-3-11(9)13/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one?
8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one has a molecular weight of 175.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4-tetrahydro-1-benzazepin-5-one is sourced from PubChem (CID 45098257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).