1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one

C12H16N2O — CID 523979

IUPAC1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCCC3)CCC2
InChIInChI=1S/C12H16N2O/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12/h1-8H2
InChIKeySPMNQNOXHNXYSJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.46
Rot. Bonds

About 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one

1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one (PubChem CID 523979) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one.

Molecular Properties

Compound Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one
PubChem CID523979
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCCC3)CCC2
InChIInChI=1S/C12H16N2O/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12/h1-8H2
InChIKeySPMNQNOXHNXYSJ-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 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one?
The IUPAC name of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one (CID 523979) is 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one.
What is the SMILES notation for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one?
The canonical SMILES for 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one is O=c1c2c(nc3n1CCCCC3)CCC2.
What is the InChIKey of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one?
The InChIKey is SPMNQNOXHNXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-9-5-4-6-10(9)13-11-7-2-1-3-8-14(11)12/h1-8H2.
What are the key properties of 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one?
1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-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 1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one is sourced from PubChem (CID 523979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).