5-oxocyclopentene-1-carbonitrile

C6H5NO — CID 11389368

IUPAC5-oxocyclopentene-1-carbonitrile
SMILESN#CC1=CCCC1=O
InChIInChI=1S/C6H5NO/c7-4-5-2-1-3-6(5)8/h2H,1,3H2
InChIKeyWJTWHJRAPTZRNI-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.80
Rot. Bonds

About 5-oxocyclopentene-1-carbonitrile

5-oxocyclopentene-1-carbonitrile (PubChem CID 11389368) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 5-oxocyclopentene-1-carbonitrile.

Molecular Properties

Compound Name5-oxocyclopentene-1-carbonitrile
PubChem CID11389368
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name5-oxocyclopentene-1-carbonitrile
SMILESN#CC1=CCCC1=O
InChIInChI=1S/C6H5NO/c7-4-5-2-1-3-6(5)8/h2H,1,3H2
InChIKeyWJTWHJRAPTZRNI-UHFFFAOYSA-N
XLogP0.80
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxocyclopentene-1-carbonitrile?
The IUPAC name of 5-oxocyclopentene-1-carbonitrile (CID 11389368) is 5-oxocyclopentene-1-carbonitrile.
What is the SMILES notation for 5-oxocyclopentene-1-carbonitrile?
The canonical SMILES for 5-oxocyclopentene-1-carbonitrile is N#CC1=CCCC1=O.
What is the InChIKey of 5-oxocyclopentene-1-carbonitrile?
The InChIKey is WJTWHJRAPTZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c7-4-5-2-1-3-6(5)8/h2H,1,3H2.
What are the key properties of 5-oxocyclopentene-1-carbonitrile?
5-oxocyclopentene-1-carbonitrile has a molecular weight of 107.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxocyclopentene-1-carbonitrile is sourced from PubChem (CID 11389368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).