11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one

C12H16N2O — CID 13081393

IUPAC11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESCC1CCn2c(nc3c(c2=O)CCC3)C1
InChIInChI=1S/C12H16N2O/c1-8-5-6-14-11(7-8)13-10-4-2-3-9(10)12(14)15/h8H,2-7H2,1H3
InChIKeySEGLOGIAMCBDJB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds

About 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one

11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (PubChem CID 13081393) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.

Molecular Properties

Compound Name11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
PubChem CID13081393
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESCC1CCn2c(nc3c(c2=O)CCC3)C1
InChIInChI=1S/C12H16N2O/c1-8-5-6-14-11(7-8)13-10-4-2-3-9(10)12(14)15/h8H,2-7H2,1H3
InChIKeySEGLOGIAMCBDJB-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-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 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The IUPAC name of 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (CID 13081393) is 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.
What is the SMILES notation for 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The canonical SMILES for 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is CC1CCn2c(nc3c(c2=O)CCC3)C1.
What is the InChIKey of 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The InChIKey is SEGLOGIAMCBDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-6-14-11(7-8)13-10-4-2-3-9(10)12(14)15/h8H,2-7H2,1H3.
What are the key properties of 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is sourced from PubChem (CID 13081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).