6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one

C12H15NO — CID 75532115

IUPAC6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCc1cc(C)c2c(c1)C(=O)NCCC2
InChIInChI=1S/C12H15NO/c1-8-6-9(2)10-4-3-5-13-12(14)11(10)7-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyUMLJXMPCTFXJSL-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.98
Rot. Bonds

About 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one

6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 75532115) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID75532115
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCc1cc(C)c2c(c1)C(=O)NCCC2
InChIInChI=1S/C12H15NO/c1-8-6-9(2)10-4-3-5-13-12(14)11(10)7-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyUMLJXMPCTFXJSL-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6,8-dimethyl-2,3,4,5-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 75532115) is 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is Cc1cc(C)c2c(c1)C(=O)NCCC2.
What is the InChIKey of 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is UMLJXMPCTFXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-6-9(2)10-4-3-5-13-12(14)11(10)7-8/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one?
6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 189.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 75532115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).