10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one

C19H20N2O2 — CID 59995836

IUPAC10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one
SMILESCC1C2CCCC2Nc2c(C(=O)c3ccccc3)ccc(=O)n21
InChIInChI=1S/C19H20N2O2/c1-12-14-8-5-9-16(14)20-19-15(10-11-17(22)21(12)19)18(23)13-6-3-2-4-7-13/h2-4,6-7,10-12,14,16,20H,5,8-9H2,1H3
InChIKeyYJTLNKRFRODTDQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds2

About 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one

10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one (PubChem CID 59995836) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one.

Molecular Properties

Compound Name10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one
PubChem CID59995836
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one
SMILESCC1C2CCCC2Nc2c(C(=O)c3ccccc3)ccc(=O)n21
InChIInChI=1S/C19H20N2O2/c1-12-14-8-5-9-16(14)20-19-15(10-11-17(22)21(12)19)18(23)13-6-3-2-4-7-13/h2-4,6-7,10-12,14,16,20H,5,8-9H2,1H3
InChIKeyYJTLNKRFRODTDQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-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 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one?
The IUPAC name of 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one (CID 59995836) is 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one.
What is the SMILES notation for 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one?
The canonical SMILES for 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one is CC1C2CCCC2Nc2c(C(=O)c3ccccc3)ccc(=O)n21.
What is the InChIKey of 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one?
The InChIKey is YJTLNKRFRODTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-14-8-5-9-16(14)20-19-15(10-11-17(22)21(12)19)18(23)13-6-3-2-4-7-13/h2-4,6-7,10-12,14,16,20H,5,8-9H2,1H3.
What are the key properties of 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one?
10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one has a molecular weight of 308.38 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzoyl-2-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-9,11-dien-13-one is sourced from PubChem (CID 59995836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).