2-cyclopenta-1,4-dien-1-ylacetonitrile

C7H7N — CID 42552646

IUPAC2-cyclopenta-1,4-dien-1-ylacetonitrile
SMILESN#CCC1=CCC=C1
InChIInChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5H2
InChIKeyQAVFUTBSEVBJFW-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.79
Rot. Bonds1

About 2-cyclopenta-1,4-dien-1-ylacetonitrile

2-cyclopenta-1,4-dien-1-ylacetonitrile (PubChem CID 42552646) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-ylacetonitrile.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-ylacetonitrile
PubChem CID42552646
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-cyclopenta-1,4-dien-1-ylacetonitrile
SMILESN#CCC1=CCC=C1
InChIInChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5H2
InChIKeyQAVFUTBSEVBJFW-UHFFFAOYSA-N
XLogP1.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopentadienecarbonitrile
CID 141366
5-Cyano-1,3-cyclopentadiene
CID 620080
1-Cyano-1,4-cyclopentadiene
CID 12156911
1,3-Cyclopentadiene-1,2-dicarbonitrile
CID 12846952
4-Methyl-cyclopenta-1,3-dienecarbonitrile
CID 15566433
1,3-Cyclopentadiene-1,3-dicarbonitrile
CID 12846953
Cyclohexa-1,3-diene-1-carbonitrile
CID 13153847
3-Methylenecyclobutene-1-carbonitrile
CID 13159323
Cyanocycloheptatriene
CID 14415592
1,5-Cyclohexadien-1-carbonitrile
CID 18540244
2-Cyclopenta-2,4-dien-1-ylidenepropanedinitrile
CID 19901251
2-Cyclopenta-2,4-dien-1-ylideneacetonitrile
CID 57188319

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-ylacetonitrile?
The IUPAC name of 2-cyclopenta-1,4-dien-1-ylacetonitrile (CID 42552646) is 2-cyclopenta-1,4-dien-1-ylacetonitrile.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-ylacetonitrile?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-ylacetonitrile is N#CCC1=CCC=C1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-ylacetonitrile?
The InChIKey is QAVFUTBSEVBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5H2.
What are the key properties of 2-cyclopenta-1,4-dien-1-ylacetonitrile?
2-cyclopenta-1,4-dien-1-ylacetonitrile has a molecular weight of 105.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-ylacetonitrile is sourced from PubChem (CID 42552646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).