3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile

C18H32N2O — CID 142051753

IUPAC3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile
SMILESC=CCCC1C(CCC)CNC1O.CCC/C=C\CC#N
InChIInChI=1S/C11H21NO.C7H11N/c1-3-5-7-10-9(6-4-2)8-12-11(10)13;1-2-3-4-5-6-7-8/h3,9-13H,1,4-8H2,2H3;4-5H,2-3,6H2,1H3/b;5-4-
InChIKeyRYJYWKRGMZQRMI-GUHKXDMSSA-N
MW292.47 g/mol
LogP4.16
Rot. Bonds8

About 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile

3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile (PubChem CID 142051753) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile.

Molecular Properties

Compound Name3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile
PubChem CID142051753
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile
SMILESC=CCCC1C(CCC)CNC1O.CCC/C=C\CC#N
InChIInChI=1S/C11H21NO.C7H11N/c1-3-5-7-10-9(6-4-2)8-12-11(10)13;1-2-3-4-5-6-7-8/h3,9-13H,1,4-8H2,2H3;4-5H,2-3,6H2,1H3/b;5-4-
InChIKeyRYJYWKRGMZQRMI-GUHKXDMSSA-N
XLogP4.16
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-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 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile?
The IUPAC name of 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile (CID 142051753) is 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile.
What is the SMILES notation for 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile?
The canonical SMILES for 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile is C=CCCC1C(CCC)CNC1O.CCC/C=C\CC#N.
What is the InChIKey of 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile?
The InChIKey is RYJYWKRGMZQRMI-GUHKXDMSSA-N. The full InChI is InChI=1S/C11H21NO.C7H11N/c1-3-5-7-10-9(6-4-2)8-12-11(10)13;1-2-3-4-5-6-7-8/h3,9-13H,1,4-8H2,2H3;4-5H,2-3,6H2,1H3/b;5-4-.
What are the key properties of 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile?
3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile has a molecular weight of 292.47 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile is sourced from PubChem (CID 142051753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).