(E)-3-(cyclopenten-1-yl)prop-2-enenitrile

C8H9N — CID 135001707

IUPAC(E)-3-(cyclopenten-1-yl)prop-2-enenitrile
SMILESN#C/C=C/C1=CCCC1
InChIInChI=1S/C8H9N/c9-7-3-6-8-4-1-2-5-8/h3-4,6H,1-2,5H2/b6-3+
InChIKeyBTEIKWCOPZXDRM-ZZXKWVIFSA-N
MW119.17 g/mol
LogP2.18
Rot. Bonds1

About (E)-3-(cyclopenten-1-yl)prop-2-enenitrile

(E)-3-(cyclopenten-1-yl)prop-2-enenitrile (PubChem CID 135001707) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is (E)-3-(cyclopenten-1-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(cyclopenten-1-yl)prop-2-enenitrile
PubChem CID135001707
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name(E)-3-(cyclopenten-1-yl)prop-2-enenitrile
SMILESN#C/C=C/C1=CCCC1
InChIInChI=1S/C8H9N/c9-7-3-6-8-4-1-2-5-8/h3-4,6H,1-2,5H2/b6-3+
InChIKeyBTEIKWCOPZXDRM-ZZXKWVIFSA-N
XLogP2.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.18
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

2-Cyclohexenylidenemalononitrile
CID 556620
(2E,4E)-nona-2,4-dienenitrile
CID 87438300
(2Z,4E)-nona-2,4-dienenitrile
CID 134978665
2-Cyclopenta-2,4-dien-1-ylideneacetonitrile
CID 57188319
2-Cyclopent-2-en-1-ylidenepropanedinitrile
CID 85878146
Dicyano-octadiene
CID 134686838
(2E)-3-(Cyclohex-1-EN-1-YL)prop-2-enenitrile
CID 5382613
(2E,4E)-2,4-decadienenitrile
CID 12636341
Nona-2,4-dienenitrile
CID 71402654
Deca-2,4-dienenitrile
CID 85442459
(3-Methylcyclopent-2-enylidene)methane-1,1-dicarbonitrile
CID 3564602
(2Z)-3-ethyl-4-methylpenta-2,4-dienenitrile
CID 12691052

Frequently Asked Questions

What is the IUPAC name of (E)-3-(cyclopenten-1-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(cyclopenten-1-yl)prop-2-enenitrile (CID 135001707) is (E)-3-(cyclopenten-1-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(cyclopenten-1-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(cyclopenten-1-yl)prop-2-enenitrile is N#C/C=C/C1=CCCC1.
What is the InChIKey of (E)-3-(cyclopenten-1-yl)prop-2-enenitrile?
The InChIKey is BTEIKWCOPZXDRM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H9N/c9-7-3-6-8-4-1-2-5-8/h3-4,6H,1-2,5H2/b6-3+.
What are the key properties of (E)-3-(cyclopenten-1-yl)prop-2-enenitrile?
(E)-3-(cyclopenten-1-yl)prop-2-enenitrile has a molecular weight of 119.17 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(cyclopenten-1-yl)prop-2-enenitrile is sourced from PubChem (CID 135001707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).