(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C12H16N2O — CID 146646623

IUPAC(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3/t9?,10-/m0/s1
InChIKeyBMELFMSHGRMUAH-AXDSSHIGSA-N
MW204.27 g/mol
LogP0.86
Rot. Bonds

About (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 146646623) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID146646623
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3/t9?,10-/m0/s1
InChIKeyBMELFMSHGRMUAH-AXDSSHIGSA-N
XLogP0.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-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 (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 146646623) is (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is Cc1cc2n(c(=O)c1)CC1CNC[C@@H]2C1.
What is the InChIKey of (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is BMELFMSHGRMUAH-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3/t9?,10-/m0/s1.
What are the key properties of (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
(1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 204.27 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 146646623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).