2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile

C20H24N2 — CID 139381670

IUPAC2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C(=C)c1ccc(C2CCCC2CCC)cc1
InChIInChI=1S/C20H24N2/c1-4-6-18-7-5-8-20(18)19-11-9-17(10-12-19)15(2)14-22-16(3)13-21/h9-12,14,18,20H,2-8H2,1H3/b22-14+
InChIKeyLASMYUOZYZTLJM-HYARGMPZSA-N
MW292.43 g/mol
LogP5.49
Rot. Bonds6

About 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile

2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile (PubChem CID 139381670) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile.

Molecular Properties

Compound Name2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile
PubChem CID139381670
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile
SMILESC=C(C#N)/N=C/C(=C)c1ccc(C2CCCC2CCC)cc1
InChIInChI=1S/C20H24N2/c1-4-6-18-7-5-8-20(18)19-11-9-17(10-12-19)15(2)14-22-16(3)13-21/h9-12,14,18,20H,2-8H2,1H3/b22-14+
InChIKeyLASMYUOZYZTLJM-HYARGMPZSA-N
XLogP5.49
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-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 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile?
The IUPAC name of 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile (CID 139381670) is 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile.
What is the SMILES notation for 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile?
The canonical SMILES for 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile is C=C(C#N)/N=C/C(=C)c1ccc(C2CCCC2CCC)cc1.
What is the InChIKey of 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile?
The InChIKey is LASMYUOZYZTLJM-HYARGMPZSA-N. The full InChI is InChI=1S/C20H24N2/c1-4-6-18-7-5-8-20(18)19-11-9-17(10-12-19)15(2)14-22-16(3)13-21/h9-12,14,18,20H,2-8H2,1H3/b22-14+.
What are the key properties of 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile?
2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile has a molecular weight of 292.43 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-propylcyclopentyl)phenyl]prop-2-enylideneamino]prop-2-enenitrile is sourced from PubChem (CID 139381670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).