2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile

C8H7NO2 — CID 13355486

IUPAC2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
SMILESN#CC1CC2OC1C=CC2=O
InChIInChI=1S/C8H7NO2/c9-4-5-3-8-6(10)1-2-7(5)11-8/h1-2,5,7-8H,3H2
InChIKeyWOKLCWXEYDRZDR-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.42
Rot. Bonds

About 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile

2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile (PubChem CID 13355486) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
PubChem CID13355486
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
SMILESN#CC1CC2OC1C=CC2=O
InChIInChI=1S/C8H7NO2/c9-4-5-3-8-6(10)1-2-7(5)11-8/h1-2,5,7-8H,3H2
InChIKeyWOKLCWXEYDRZDR-UHFFFAOYSA-N
XLogP0.42
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5S,6S)-5-methyl-2-oxo-1-propan-2-yl-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 139256618
(1S,5S)-1,5-dimethyl-2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 10559204
(1R,5S)-1,5-dimethyl-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carbonitrile
CID 11052196
6-(Prop-1-en-2-yl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031667
1,5-Dimethyl-2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile
CID 85185594

Frequently Asked Questions

What is the IUPAC name of 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile?
The IUPAC name of 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile (CID 13355486) is 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile.
What is the SMILES notation for 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile?
The canonical SMILES for 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile is N#CC1CC2OC1C=CC2=O.
What is the InChIKey of 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile?
The InChIKey is WOKLCWXEYDRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-4-5-3-8-6(10)1-2-7(5)11-8/h1-2,5,7-8H,3H2.
What are the key properties of 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile?
2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-8-oxabicyclo[3.2.1]oct-3-ene-6-carbonitrile is sourced from PubChem (CID 13355486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).