2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile

C10H13N — CID 82371817

IUPAC2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile
SMILESCC/C=C\C1C=CCC1C#N
InChIInChI=1S/C10H13N/c1-2-3-5-9-6-4-7-10(9)8-11/h3-6,9-10H,2,7H2,1H3/b5-3-
InChIKeyKIEKXIIBZYEOPZ-HYXAFXHYSA-N
MW147.22 g/mol
LogP2.67
Rot. Bonds2

About 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile

2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile (PubChem CID 82371817) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile
PubChem CID82371817
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile
SMILESCC/C=C\C1C=CCC1C#N
InChIInChI=1S/C10H13N/c1-2-3-5-9-6-4-7-10(9)8-11/h3-6,9-10H,2,7H2,1H3/b5-3-
InChIKeyKIEKXIIBZYEOPZ-HYXAFXHYSA-N
XLogP2.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile?
The IUPAC name of 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile (CID 82371817) is 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile.
What is the SMILES notation for 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile?
The canonical SMILES for 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile is CC/C=C\C1C=CCC1C#N.
What is the InChIKey of 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile?
The InChIKey is KIEKXIIBZYEOPZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-3-5-9-6-4-7-10(9)8-11/h3-6,9-10H,2,7H2,1H3/b5-3-.
What are the key properties of 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile?
2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile has a molecular weight of 147.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]cyclopent-3-ene-1-carbonitrile is sourced from PubChem (CID 82371817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).