2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one

C11H6N2O — CID 68632147

IUPAC2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one
SMILESO=C1C=Cc2nncc3cccc1c23
InChIInChI=1S/C11H6N2O/c14-10-5-4-9-11-7(6-12-13-9)2-1-3-8(10)11/h1-6H
InChIKeyJVILZGSRPAUVOL-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.84
Rot. Bonds

About 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one

2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one (PubChem CID 68632147) has the molecular formula C11H6N2O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one.

Molecular Properties

Compound Name2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one
PubChem CID68632147
Molecular FormulaC11H6N2O
Molecular Weight182.18 g/mol
Exact Mass182.05
IUPAC Name2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one
SMILESO=C1C=Cc2nncc3cccc1c23
InChIInChI=1S/C11H6N2O/c14-10-5-4-9-11-7(6-12-13-9)2-1-3-8(10)11/h1-6H
InChIKeyJVILZGSRPAUVOL-UHFFFAOYSA-N
XLogP1.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one?
The IUPAC name of 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one (CID 68632147) is 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one.
What is the SMILES notation for 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one?
The canonical SMILES for 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one is O=C1C=Cc2nncc3cccc1c23.
What is the InChIKey of 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one?
The InChIKey is JVILZGSRPAUVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O/c14-10-5-4-9-11-7(6-12-13-9)2-1-3-8(10)11/h1-6H.
What are the key properties of 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one?
2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one has a molecular weight of 182.18 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8,11-hexaen-10-one is sourced from PubChem (CID 68632147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).