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

C11H14N2O — CID 523980

IUPAC1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCC3)CCC2
InChIInChI=1S/C11H14N2O/c14-11-8-4-3-5-9(8)12-10-6-1-2-7-13(10)11/h1-7H2
InChIKeyGMFURYYNPXBKGY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.07
Rot. Bonds

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

1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (PubChem CID 523980) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.

Molecular Properties

Compound Name1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
PubChem CID523980
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
SMILESO=c1c2c(nc3n1CCCC3)CCC2
InChIInChI=1S/C11H14N2O/c14-11-8-4-3-5-9(8)12-10-6-1-2-7-13(10)11/h1-7H2
InChIKeyGMFURYYNPXBKGY-UHFFFAOYSA-N
XLogP1.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The IUPAC name of 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one (CID 523980) is 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one.
What is the SMILES notation for 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The canonical SMILES for 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is O=c1c2c(nc3n1CCCC3)CCC2.
What is the InChIKey of 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
The InChIKey is GMFURYYNPXBKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-8-4-3-5-9(8)12-10-6-1-2-7-13(10)11/h1-7H2.
What are the key properties of 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one?
1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one is sourced from PubChem (CID 523980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).