2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one

C12H16N2O — CID 13183096

IUPAC2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one
SMILESO=c1c2c(nc3n1CCC3)CCCCC2
InChIInChI=1S/C12H16N2O/c15-12-9-5-2-1-3-6-10(9)13-11-7-4-8-14(11)12/h1-8H2
InChIKeyFICCMFSHBVQZHA-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.46
Rot. Bonds

About 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one

2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one (PubChem CID 13183096) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one.

Molecular Properties

Compound Name2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one
PubChem CID13183096
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one
SMILESO=c1c2c(nc3n1CCC3)CCCCC2
InChIInChI=1S/C12H16N2O/c15-12-9-5-2-1-3-6-10(9)13-11-7-4-8-14(11)12/h1-8H2
InChIKeyFICCMFSHBVQZHA-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one?
The IUPAC name of 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one (CID 13183096) is 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one.
What is the SMILES notation for 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one?
The canonical SMILES for 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one is O=c1c2c(nc3n1CCC3)CCCCC2.
What is the InChIKey of 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one?
The InChIKey is FICCMFSHBVQZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-9-5-2-1-3-6-10(9)13-11-7-4-8-14(11)12/h1-8H2.
What are the key properties of 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one?
2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one has a molecular weight of 204.27 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-8-one is sourced from PubChem (CID 13183096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).