2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one

C11H8N2O — CID 54464518

IUPAC2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESO=c1cc2cccc3c2c([nH]1)NC=C3
InChIInChI=1S/C11H8N2O/c14-9-6-8-3-1-2-7-4-5-12-11(13-9)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyXDXKPENTYWSAMV-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.92
Rot. Bonds

About 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one

2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (PubChem CID 54464518) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one.

Molecular Properties

Compound Name2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
PubChem CID54464518
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESO=c1cc2cccc3c2c([nH]1)NC=C3
InChIInChI=1S/C11H8N2O/c14-9-6-8-3-1-2-7-4-5-12-11(13-9)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyXDXKPENTYWSAMV-UHFFFAOYSA-N
XLogP1.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one with MolForge

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Related Compounds

1,8-Naphthyridine-2,5(1H,8H)-dione
CID 12354429
1-Aminoisoquinolin-3-ol
CID 17905010
2H-benzo[g]isoquinolin-3-one
CID 19597021
4-Propan-2-yl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 53804077
1H-imidazo[2,1-a]isoquinolin-5-one
CID 54009795
4-Methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 54128485
1-piperazin-1-yl-2H-isoquinolin-3-one
CID 87148387
8-Methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 91141309
5,6,7,8-Tetrahydro-1,8-naphthyridin-2-ol
CID 133058072
6-(methylamino)-4-prop-1-en-2-yl-1H-pyridin-2-one
CID 141967999
1,2,5,9-Tetrahydropyrido[2,3-b]azepin-8-one
CID 144623693
1-(methylamino)-2H-isoquinolin-3-one
CID 163451045

Frequently Asked Questions

What is the IUPAC name of 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The IUPAC name of 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (CID 54464518) is 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one.
What is the SMILES notation for 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The canonical SMILES for 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is O=c1cc2cccc3c2c([nH]1)NC=C3.
What is the InChIKey of 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The InChIKey is XDXKPENTYWSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-9-6-8-3-1-2-7-4-5-12-11(13-9)10(7)8/h1-6H,(H2,12,13,14).
What are the key properties of 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one has a molecular weight of 184.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is sourced from PubChem (CID 54464518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).