2,2-bis(prop-2-enyl)pent-4-enenitrile

C11H15N — CID 51051372

IUPAC2,2-bis(prop-2-enyl)pent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)CC=C
InChIInChI=1S/C11H15N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-6H,1-3,7-9H2
InChIKeyGQNXDOQCDSQXDS-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.22
Rot. Bonds6

About 2,2-bis(prop-2-enyl)pent-4-enenitrile

2,2-bis(prop-2-enyl)pent-4-enenitrile (PubChem CID 51051372) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-enenitrile.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-enenitrile
PubChem CID51051372
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2,2-bis(prop-2-enyl)pent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)CC=C
InChIInChI=1S/C11H15N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-6H,1-3,7-9H2
InChIKeyGQNXDOQCDSQXDS-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-bis(prop-2-enyl)pent-4-enenitrile 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 2,2-bis(prop-2-enyl)pent-4-enenitrile?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-enenitrile (CID 51051372) is 2,2-bis(prop-2-enyl)pent-4-enenitrile.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-enenitrile?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-enenitrile is C=CCC(C#N)(CC=C)CC=C.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-enenitrile?
The InChIKey is GQNXDOQCDSQXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-enenitrile?
2,2-bis(prop-2-enyl)pent-4-enenitrile has a molecular weight of 161.25 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-enenitrile is sourced from PubChem (CID 51051372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).