13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one

C12H12N2O — CID 523986

IUPAC13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
SMILESCc1cccc2nc3c(c(=O)n12)CCC3
InChIInChI=1S/C12H12N2O/c1-8-4-2-7-11-13-10-6-3-5-9(10)12(15)14(8)11/h2,4,7H,3,5-6H2,1H3
InChIKeyYAHUGMKDYQWMCC-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.49
Rot. Bonds

About 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one

13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one (PubChem CID 523986) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one.

Molecular Properties

Compound Name13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
PubChem CID523986
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
SMILESCc1cccc2nc3c(c(=O)n12)CCC3
InChIInChI=1S/C12H12N2O/c1-8-4-2-7-11-13-10-6-3-5-9(10)12(15)14(8)11/h2,4,7H,3,5-6H2,1H3
InChIKeyYAHUGMKDYQWMCC-UHFFFAOYSA-N
XLogP1.49
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one?
The IUPAC name of 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one (CID 523986) is 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one.
What is the SMILES notation for 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one?
The canonical SMILES for 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one is Cc1cccc2nc3c(c(=O)n12)CCC3.
What is the InChIKey of 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one?
The InChIKey is YAHUGMKDYQWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-4-2-7-11-13-10-6-3-5-9(10)12(15)14(8)11/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one?
13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one is sourced from PubChem (CID 523986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).