4-methyl-2-propylhex-2-enenitrile

C10H17N — CID 3019837

IUPAC4-methyl-2-propylhex-2-enenitrile
SMILESCCCC(C#N)=CC(C)CC
InChIInChI=1S/C10H17N/c1-4-6-10(8-11)7-9(3)5-2/h7,9H,4-6H2,1-3H3
InChIKeyFDOXDHROXPVCRZ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.28
Rot. Bonds4

About 4-methyl-2-propylhex-2-enenitrile

4-methyl-2-propylhex-2-enenitrile (PubChem CID 3019837) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-methyl-2-propylhex-2-enenitrile.

Molecular Properties

Compound Name4-methyl-2-propylhex-2-enenitrile
PubChem CID3019837
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-methyl-2-propylhex-2-enenitrile
SMILESCCCC(C#N)=CC(C)CC
InChIInChI=1S/C10H17N/c1-4-6-10(8-11)7-9(3)5-2/h7,9H,4-6H2,1-3H3
InChIKeyFDOXDHROXPVCRZ-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-2-propylhex-2-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 4-methyl-2-propylhex-2-enenitrile?
The IUPAC name of 4-methyl-2-propylhex-2-enenitrile (CID 3019837) is 4-methyl-2-propylhex-2-enenitrile.
What is the SMILES notation for 4-methyl-2-propylhex-2-enenitrile?
The canonical SMILES for 4-methyl-2-propylhex-2-enenitrile is CCCC(C#N)=CC(C)CC.
What is the InChIKey of 4-methyl-2-propylhex-2-enenitrile?
The InChIKey is FDOXDHROXPVCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10(8-11)7-9(3)5-2/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-propylhex-2-enenitrile?
4-methyl-2-propylhex-2-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylhex-2-enenitrile is sourced from PubChem (CID 3019837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).