2,2-bis(prop-2-enyl)propanedinitrile

C9H10N2 — CID 14449956

IUPAC2,2-bis(prop-2-enyl)propanedinitrile
SMILESC=CCC(C#N)(C#N)CC=C
InChIInChI=1S/C9H10N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-6H2
InChIKeyFEEHEHLHSCDMJK-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.17
Rot. Bonds4

About 2,2-bis(prop-2-enyl)propanedinitrile

2,2-bis(prop-2-enyl)propanedinitrile (PubChem CID 14449956) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)propanedinitrile.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)propanedinitrile
PubChem CID14449956
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,2-bis(prop-2-enyl)propanedinitrile
SMILESC=CCC(C#N)(C#N)CC=C
InChIInChI=1S/C9H10N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-6H2
InChIKeyFEEHEHLHSCDMJK-UHFFFAOYSA-N
XLogP2.17
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-bis(prop-2-enyl)propanedinitrile 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)propanedinitrile?
The IUPAC name of 2,2-bis(prop-2-enyl)propanedinitrile (CID 14449956) is 2,2-bis(prop-2-enyl)propanedinitrile.
What is the SMILES notation for 2,2-bis(prop-2-enyl)propanedinitrile?
The canonical SMILES for 2,2-bis(prop-2-enyl)propanedinitrile is C=CCC(C#N)(C#N)CC=C.
What is the InChIKey of 2,2-bis(prop-2-enyl)propanedinitrile?
The InChIKey is FEEHEHLHSCDMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-5-9(7-10,8-11)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 2,2-bis(prop-2-enyl)propanedinitrile?
2,2-bis(prop-2-enyl)propanedinitrile has a molecular weight of 146.19 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)propanedinitrile is sourced from PubChem (CID 14449956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).