9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione

C13H15NO2 — CID 534265

IUPAC9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
SMILESCc1ccc2c(c1)C(=O)CCCCC(=O)N2
InChIInChI=1S/C13H15NO2/c1-9-6-7-11-10(8-9)12(15)4-2-3-5-13(16)14-11/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyOBAWWFIJMQZUMJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.69
Rot. Bonds

About 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione

9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione (PubChem CID 534265) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione.

Molecular Properties

Compound Name9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
PubChem CID534265
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
SMILESCc1ccc2c(c1)C(=O)CCCCC(=O)N2
InChIInChI=1S/C13H15NO2/c1-9-6-7-11-10(8-9)12(15)4-2-3-5-13(16)14-11/h6-8H,2-5H2,1H3,(H,14,16)
InChIKeyOBAWWFIJMQZUMJ-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione 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 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The IUPAC name of 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione (CID 534265) is 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione.
What is the SMILES notation for 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The canonical SMILES for 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione is Cc1ccc2c(c1)C(=O)CCCCC(=O)N2.
What is the InChIKey of 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The InChIKey is OBAWWFIJMQZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-6-7-11-10(8-9)12(15)4-2-3-5-13(16)14-11/h6-8H,2-5H2,1H3,(H,14,16).
What are the key properties of 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione has a molecular weight of 217.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione is sourced from PubChem (CID 534265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).