4-propylpent-2-enedinitrile

C8H10N2 — CID 91172153

IUPAC4-propylpent-2-enedinitrile
SMILESCCCC(C#N)C=CC#N
InChIInChI=1S/C8H10N2/c1-2-4-8(7-10)5-3-6-9/h3,5,8H,2,4H2,1H3
InChIKeyJRIQTWBSMZAVNF-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.01
Rot. Bonds3

About 4-propylpent-2-enedinitrile

4-propylpent-2-enedinitrile (PubChem CID 91172153) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-propylpent-2-enedinitrile.

Molecular Properties

Compound Name4-propylpent-2-enedinitrile
PubChem CID91172153
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-propylpent-2-enedinitrile
SMILESCCCC(C#N)C=CC#N
InChIInChI=1S/C8H10N2/c1-2-4-8(7-10)5-3-6-9/h3,5,8H,2,4H2,1H3
InChIKeyJRIQTWBSMZAVNF-UHFFFAOYSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-propylpent-2-enedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propylpent-2-enedinitrile?
The IUPAC name of 4-propylpent-2-enedinitrile (CID 91172153) is 4-propylpent-2-enedinitrile.
What is the SMILES notation for 4-propylpent-2-enedinitrile?
The canonical SMILES for 4-propylpent-2-enedinitrile is CCCC(C#N)C=CC#N.
What is the InChIKey of 4-propylpent-2-enedinitrile?
The InChIKey is JRIQTWBSMZAVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8(7-10)5-3-6-9/h3,5,8H,2,4H2,1H3.
What are the key properties of 4-propylpent-2-enedinitrile?
4-propylpent-2-enedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpent-2-enedinitrile is sourced from PubChem (CID 91172153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).