(E)-3-cyclopentylprop-2-enenitrile

C8H11N — CID 21427952

IUPAC(E)-3-cyclopentylprop-2-enenitrile
SMILESN#C/C=C/C1CCCC1
InChIInChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
InChIKeyVMELXYJYSXXORF-ZZXKWVIFSA-N
MW121.18 g/mol
LogP2.26
Rot. Bonds1

About (E)-3-cyclopentylprop-2-enenitrile

(E)-3-cyclopentylprop-2-enenitrile (PubChem CID 21427952) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (E)-3-cyclopentylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-cyclopentylprop-2-enenitrile
PubChem CID21427952
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(E)-3-cyclopentylprop-2-enenitrile
SMILESN#C/C=C/C1CCCC1
InChIInChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
InChIKeyVMELXYJYSXXORF-ZZXKWVIFSA-N
XLogP2.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

Acetonitrile, 2-(2,4,4-trimethylcyclopentylidene)-
CID 67064889
Malononitrile, 3-cyclohexenylmethylene-
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4-Cyclopentylbut-2-enenitrile
CID 67965384
Cyclohexaneacrylonitrile, (E)-
CID 5382612
(2E)-5,9-dimethyldeca-2,8-dienenitrile
CID 10965077
2-(2-Cyanoethylidene)-bicyclo[2.2.1]hept-5-ene
CID 53425511
(2E)-2-(2,4,4-trimethylcyclopentylidene)acetonitrile
CID 67064888
(E)-3-(3,3-difluorocyclopentyl)prop-2-enenitrile
CID 121427662
3-(3,3-Difluorocyclopentyl)prop-2-enenitrile
CID 132012980
(Bicyclo[2.2.1]hept-5-en-2-ylidene)propanedinitrile
CID 13497447
(Z)-3-cyclohexyl-acrylonitrile
CID 12370427
2-[(2Z)-2-(cyanomethylidene)cyclopentyl]acetonitrile
CID 134869481

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentylprop-2-enenitrile?
The IUPAC name of (E)-3-cyclopentylprop-2-enenitrile (CID 21427952) is (E)-3-cyclopentylprop-2-enenitrile.
What is the SMILES notation for (E)-3-cyclopentylprop-2-enenitrile?
The canonical SMILES for (E)-3-cyclopentylprop-2-enenitrile is N#C/C=C/C1CCCC1.
What is the InChIKey of (E)-3-cyclopentylprop-2-enenitrile?
The InChIKey is VMELXYJYSXXORF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+.
What are the key properties of (E)-3-cyclopentylprop-2-enenitrile?
(E)-3-cyclopentylprop-2-enenitrile has a molecular weight of 121.18 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentylprop-2-enenitrile is sourced from PubChem (CID 21427952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).