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

C12H10N2O — CID 91141309

IUPAC8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESCc1ccc2cc(=O)[nH]c3c2c1C=CN3
InChIInChI=1S/C12H10N2O/c1-7-2-3-8-6-10(15)14-12-11(8)9(7)4-5-13-12/h2-6H,1H3,(H2,13,14,15)
InChIKeyXQWOTVVMOVUBNH-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.23
Rot. Bonds

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

8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (PubChem CID 91141309) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one.

Molecular Properties

Compound Name8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
PubChem CID91141309
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
SMILESCc1ccc2cc(=O)[nH]c3c2c1C=CN3
InChIInChI=1S/C12H10N2O/c1-7-2-3-8-6-10(15)14-12-11(8)9(7)4-5-13-12/h2-6H,1H3,(H2,13,14,15)
InChIKeyXQWOTVVMOVUBNH-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 8-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

8-Methylisoquinolin-3(2H)-one
CID 53438632
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
2,12-Diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one
CID 54464518
1-piperazin-1-yl-2H-isoquinolin-3-one
CID 87148387
1-amino-6-methyl-2H-isoquinolin-3-one
CID 89246430
4-Ethyl-1,8-dihydro-1,8-naphthyridine-2,7-dione
CID 129287800
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
5-methyl-1-[(1E)-1-(methylamino)buta-1,3-dienyl]pyridin-2-one
CID 142086971
1,2,5,9-Tetrahydropyrido[2,3-b]azepin-8-one
CID 144623693

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The IUPAC name of 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one (CID 91141309) is 8-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 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The canonical SMILES for 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is Cc1ccc2cc(=O)[nH]c3c2c1C=CN3.
What is the InChIKey of 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
The InChIKey is XQWOTVVMOVUBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-2-3-8-6-10(15)14-12-11(8)9(7)4-5-13-12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one?
8-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 8-methyl-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),4,6,8,10-pentaen-3-one is sourced from PubChem (CID 91141309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).