3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

C12H15NO — CID 12622089

IUPAC3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1Cc2ccccc2NC(=O)C1C
InChIInChI=1S/C12H15NO/c1-8-7-10-5-3-4-6-11(10)13-12(14)9(8)2/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeySEBMWYAMEMJDKS-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds

About 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 12622089) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID12622089
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCC1Cc2ccccc2NC(=O)C1C
InChIInChI=1S/C12H15NO/c1-8-7-10-5-3-4-6-11(10)13-12(14)9(8)2/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeySEBMWYAMEMJDKS-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-1,3,4,5-tetrahydro-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 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 12622089) is 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is CC1Cc2ccccc2NC(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is SEBMWYAMEMJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-7-10-5-3-4-6-11(10)13-12(14)9(8)2/h3-6,8-9H,7H2,1-2H3,(H,13,14).
What are the key properties of 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 12622089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).