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

C12H16N2O — CID 13081394

IUPAC12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESCC1CCc2nc3c(c(=O)n2C1)CCC3
InChIInChI=1S/C12H16N2O/c1-8-5-6-11-13-10-4-2-3-9(10)12(15)14(11)7-8/h8H,2-7H2,1H3
InChIKeyWIQLEPJSTNXIQX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.31
Rot. Bonds

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

12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (PubChem CID 13081394) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.

Molecular Properties

Compound Name12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
PubChem CID13081394
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESCC1CCc2nc3c(c(=O)n2C1)CCC3
InChIInChI=1S/C12H16N2O/c1-8-5-6-11-13-10-4-2-3-9(10)12(15)14(11)7-8/h8H,2-7H2,1H3
InChIKeyWIQLEPJSTNXIQX-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The IUPAC name of 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (CID 13081394) is 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.
What is the SMILES notation for 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The canonical SMILES for 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is CC1CCc2nc3c(c(=O)n2C1)CCC3.
What is the InChIKey of 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The InChIKey is WIQLEPJSTNXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-6-11-13-10-4-2-3-9(10)12(15)14(11)7-8/h8H,2-7H2,1H3.
What are the key properties of 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is sourced from PubChem (CID 13081394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).