12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

C12H10N2O2 — CID 11736032

IUPAC12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESCn1ccc2cc(=O)c(O)c3[nH]ccc1c23
InChIInChI=1S/C12H10N2O2/c1-14-5-3-7-6-9(15)12(16)11-10(7)8(14)2-4-13-11/h2-6,13,16H,1H3
InChIKeyUQVPCPLILUMBBL-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.73
Rot. Bonds

About 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (PubChem CID 11736032) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one.

Molecular Properties

Compound Name12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
PubChem CID11736032
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESCn1ccc2cc(=O)c(O)c3[nH]ccc1c23
InChIInChI=1S/C12H10N2O2/c1-14-5-3-7-6-9(15)12(16)11-10(7)8(14)2-4-13-11/h2-6,13,16H,1H3
InChIKeyUQVPCPLILUMBBL-UHFFFAOYSA-N
XLogP1.73
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-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 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The IUPAC name of 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (CID 11736032) is 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one.
What is the SMILES notation for 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The canonical SMILES for 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is Cn1ccc2cc(=O)c(O)c3[nH]ccc1c23.
What is the InChIKey of 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The InChIKey is UQVPCPLILUMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-14-5-3-7-6-9(15)12(16)11-10(7)8(14)2-4-13-11/h2-6,13,16H,1H3.
What are the key properties of 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one has a molecular weight of 214.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-6-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is sourced from PubChem (CID 11736032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).