2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one

C13H18N2O — CID 13183097

IUPAC2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one
SMILESO=c1c2c(nc3n1CCC3)CCCCCC2
InChIInChI=1S/C13H18N2O/c16-13-10-6-3-1-2-4-7-11(10)14-12-8-5-9-15(12)13/h1-9H2
InChIKeyVQWFSSOZIUFWPZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.85
Rot. Bonds

About 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one

2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one (PubChem CID 13183097) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one.

Molecular Properties

Compound Name2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one
PubChem CID13183097
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one
SMILESO=c1c2c(nc3n1CCC3)CCCCCC2
InChIInChI=1S/C13H18N2O/c16-13-10-6-3-1-2-4-7-11(10)14-12-8-5-9-15(12)13/h1-9H2
InChIKeyVQWFSSOZIUFWPZ-UHFFFAOYSA-N
XLogP1.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one?
The IUPAC name of 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one (CID 13183097) is 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one.
What is the SMILES notation for 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one?
The canonical SMILES for 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one is O=c1c2c(nc3n1CCC3)CCCCCC2.
What is the InChIKey of 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one?
The InChIKey is VQWFSSOZIUFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-10-6-3-1-2-4-7-11(10)14-12-8-5-9-15(12)13/h1-9H2.
What are the key properties of 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one?
2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one has a molecular weight of 218.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[7.6.0.03,7]pentadeca-1(9),2-dien-8-one is sourced from PubChem (CID 13183097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).