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

C11H8N2O2 — CID 10058609

IUPAC12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESO=c1cc2cc[nH]c3cc[nH]c(c1O)c23
InChIInChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,12-13,15H
InChIKeyNHBBADJLMIUAAT-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.72
Rot. Bonds

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

12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (PubChem CID 10058609) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one.

Molecular Properties

Compound Name12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
PubChem CID10058609
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one
SMILESO=c1cc2cc[nH]c3cc[nH]c(c1O)c23
InChIInChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,12-13,15H
InChIKeyNHBBADJLMIUAAT-UHFFFAOYSA-N
XLogP1.72
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-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-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one (CID 10058609) is 12-hydroxy-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-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-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is O=c1cc2cc[nH]c3cc[nH]c(c1O)c23.
What is the InChIKey of 12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
The InChIKey is NHBBADJLMIUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,12-13,15H.
What are the key properties of 12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one?
12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one has a molecular weight of 200.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one is sourced from PubChem (CID 10058609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).