(2E)-3-ethyl-2-propylidenepentanedinitrile

C10H14N2 — CID 18941573

IUPAC(2E)-3-ethyl-2-propylidenepentanedinitrile
SMILESCC/C=C(/C#N)C(CC)CC#N
InChIInChI=1S/C10H14N2/c1-3-5-10(8-12)9(4-2)6-7-11/h5,9H,3-4,6H2,1-2H3/b10-5-
InChIKeyVAKUULXZPHVQFC-YHYXMXQVSA-N
MW162.24 g/mol
LogP2.79
Rot. Bonds4

About (2E)-3-ethyl-2-propylidenepentanedinitrile

(2E)-3-ethyl-2-propylidenepentanedinitrile (PubChem CID 18941573) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (2E)-3-ethyl-2-propylidenepentanedinitrile.

Molecular Properties

Compound Name(2E)-3-ethyl-2-propylidenepentanedinitrile
PubChem CID18941573
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(2E)-3-ethyl-2-propylidenepentanedinitrile
SMILESCC/C=C(/C#N)C(CC)CC#N
InChIInChI=1S/C10H14N2/c1-3-5-10(8-12)9(4-2)6-7-11/h5,9H,3-4,6H2,1-2H3/b10-5-
InChIKeyVAKUULXZPHVQFC-YHYXMXQVSA-N
XLogP2.79
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-3-ethyl-2-propylidenepentanedinitrile 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 (2E)-3-ethyl-2-propylidenepentanedinitrile?
The IUPAC name of (2E)-3-ethyl-2-propylidenepentanedinitrile (CID 18941573) is (2E)-3-ethyl-2-propylidenepentanedinitrile.
What is the SMILES notation for (2E)-3-ethyl-2-propylidenepentanedinitrile?
The canonical SMILES for (2E)-3-ethyl-2-propylidenepentanedinitrile is CC/C=C(/C#N)C(CC)CC#N.
What is the InChIKey of (2E)-3-ethyl-2-propylidenepentanedinitrile?
The InChIKey is VAKUULXZPHVQFC-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-10(8-12)9(4-2)6-7-11/h5,9H,3-4,6H2,1-2H3/b10-5-.
What are the key properties of (2E)-3-ethyl-2-propylidenepentanedinitrile?
(2E)-3-ethyl-2-propylidenepentanedinitrile has a molecular weight of 162.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethyl-2-propylidenepentanedinitrile is sourced from PubChem (CID 18941573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).