8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one

C13H17NO2 — CID 168876558

IUPAC8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
SMILESCOc1ccc2c(c1)CCNC(=O)C2(C)C
InChIInChI=1S/C13H17NO2/c1-13(2)11-5-4-10(16-3)8-9(11)6-7-14-12(13)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyAKKUTCYSVPLMII-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds1

About 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one

8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one (PubChem CID 168876558) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one.

Molecular Properties

Compound Name8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
PubChem CID168876558
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
SMILESCOc1ccc2c(c1)CCNC(=O)C2(C)C
InChIInChI=1S/C13H17NO2/c1-13(2)11-5-4-10(16-3)8-9(11)6-7-14-12(13)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyAKKUTCYSVPLMII-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-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-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one?
The IUPAC name of 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one (CID 168876558) is 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one.
What is the SMILES notation for 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one?
The canonical SMILES for 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one is COc1ccc2c(c1)CCNC(=O)C2(C)C.
What is the InChIKey of 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one?
The InChIKey is AKKUTCYSVPLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)11-5-4-10(16-3)8-9(11)6-7-14-12(13)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one?
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one has a molecular weight of 219.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one is sourced from PubChem (CID 168876558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).