pent-3-enenitrile

C10H14N2 — CID 158010428

IUPACpent-3-enenitrile
SMILESCC=CCC#N.CC=CCC#N
InChIInChI=1S/2C5H7N/c2*1-2-3-4-5-6/h2*2-3H,4H2,1H3
InChIKeyFEUXCFSBQABOMS-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.95
Rot. Bonds2

About pent-3-enenitrile

pent-3-enenitrile (PubChem CID 158010428) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is pent-3-enenitrile.

Molecular Properties

Compound Namepent-3-enenitrile
PubChem CID158010428
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Namepent-3-enenitrile
SMILESCC=CCC#N.CC=CCC#N
InChIInChI=1S/2C5H7N/c2*1-2-3-4-5-6/h2*2-3H,4H2,1H3
InChIKeyFEUXCFSBQABOMS-UHFFFAOYSA-N
XLogP2.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 pent-3-enenitrile?
The IUPAC name of pent-3-enenitrile (CID 158010428) is pent-3-enenitrile.
What is the SMILES notation for pent-3-enenitrile?
The canonical SMILES for pent-3-enenitrile is CC=CCC#N.CC=CCC#N.
What is the InChIKey of pent-3-enenitrile?
The InChIKey is FEUXCFSBQABOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N/c2*1-2-3-4-5-6/h2*2-3H,4H2,1H3.
What are the key properties of pent-3-enenitrile?
pent-3-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-enenitrile is sourced from PubChem (CID 158010428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).