13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C12H16N2O — CID 10245

IUPAC13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCC1C2CNCC1c1cccc(=O)n1C2
InChIInChI=1S/C12H16N2O/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9/h2-4,8-10,13H,5-7H2,1H3
InChIKeyRGKIXECTVPHJLM-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.80
Rot. Bonds

About 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 10245) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID10245
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCC1C2CNCC1c1cccc(=O)n1C2
InChIInChI=1S/C12H16N2O/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9/h2-4,8-10,13H,5-7H2,1H3
InChIKeyRGKIXECTVPHJLM-UHFFFAOYSA-N
XLogP0.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 10245) is 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is CC1C2CNCC1c1cccc(=O)n1C2.
What is the InChIKey of 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is RGKIXECTVPHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-9-5-13-6-10(8)11-3-2-4-12(15)14(11)7-9/h2-4,8-10,13H,5-7H2,1H3.
What are the key properties of 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 204.27 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 10245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).