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

C12H10N2O — CID 54128485

IUPAC4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESCc1c(=O)[nH]c2c3c(cccc13)C=CN2
InChIInChI=1S/C12H10N2O/c1-7-9-4-2-3-8-5-6-13-11(10(8)9)14-12(7)15/h2-6H,1H3,(H2,13,14,15)
InChIKeyNSQDDAOCXOPDMZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.23
Rot. Bonds

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

4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (PubChem CID 54128485) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one.

Molecular Properties

Compound Name4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
PubChem CID54128485
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESCc1c(=O)[nH]c2c3c(cccc13)C=CN2
InChIInChI=1S/C12H10N2O/c1-7-9-4-2-3-8-5-6-13-11(10(8)9)14-12(7)15/h2-6H,1H3,(H2,13,14,15)
InChIKeyNSQDDAOCXOPDMZ-UHFFFAOYSA-N
XLogP2.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-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

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
2,12-Diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 54464518
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
(3Z)-N-(3-methyl-1,2-dihydropyridin-6-yl)-2-methylidenehexa-3,5-dienamide
CID 141807561
3,5-dimethyl-6-(methylamino)-1-[(Z)-prop-1-enyl]pyridin-2-one
CID 144730475
1-(methylamino)-2H-isoquinolin-3-one
CID 163451045
5-[(1Z)-buta-1,3-dienyl]-3-methyl-6-(methylamino)-1H-pyridin-2-one
CID 163640637
6-methyl-1,8-naphthyridine-2,5(1H,8H)-dione
CID 12354424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The IUPAC name of 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (CID 54128485) is 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one.
What is the SMILES notation for 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The canonical SMILES for 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is Cc1c(=O)[nH]c2c3c(cccc13)C=CN2.
What is the InChIKey of 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The InChIKey is NSQDDAOCXOPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-9-4-2-3-8-5-6-13-11(10(8)9)14-12(7)15/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one has a molecular weight of 198.22 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is sourced from PubChem (CID 54128485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).