(E)-2-pyrrolidin-1-ylpent-3-enenitrile

C9H14N2 — CID 13464669

IUPAC(E)-2-pyrrolidin-1-ylpent-3-enenitrile
SMILESC/C=C/C(C#N)N1CCCC1
InChIInChI=1S/C9H14N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2,5,9H,3-4,6-7H2,1H3/b5-2+
InChIKeyRYHFTJCTJUNLCN-GORDUTHDSA-N
MW150.22 g/mol
LogP1.55
Rot. Bonds2

About (E)-2-pyrrolidin-1-ylpent-3-enenitrile

(E)-2-pyrrolidin-1-ylpent-3-enenitrile (PubChem CID 13464669) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (E)-2-pyrrolidin-1-ylpent-3-enenitrile.

Molecular Properties

Compound Name(E)-2-pyrrolidin-1-ylpent-3-enenitrile
PubChem CID13464669
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(E)-2-pyrrolidin-1-ylpent-3-enenitrile
SMILESC/C=C/C(C#N)N1CCCC1
InChIInChI=1S/C9H14N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2,5,9H,3-4,6-7H2,1H3/b5-2+
InChIKeyRYHFTJCTJUNLCN-GORDUTHDSA-N
XLogP1.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-pyrrolidin-1-ylpent-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 (E)-2-pyrrolidin-1-ylpent-3-enenitrile?
The IUPAC name of (E)-2-pyrrolidin-1-ylpent-3-enenitrile (CID 13464669) is (E)-2-pyrrolidin-1-ylpent-3-enenitrile.
What is the SMILES notation for (E)-2-pyrrolidin-1-ylpent-3-enenitrile?
The canonical SMILES for (E)-2-pyrrolidin-1-ylpent-3-enenitrile is C/C=C/C(C#N)N1CCCC1.
What is the InChIKey of (E)-2-pyrrolidin-1-ylpent-3-enenitrile?
The InChIKey is RYHFTJCTJUNLCN-GORDUTHDSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2,5,9H,3-4,6-7H2,1H3/b5-2+.
What are the key properties of (E)-2-pyrrolidin-1-ylpent-3-enenitrile?
(E)-2-pyrrolidin-1-ylpent-3-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pyrrolidin-1-ylpent-3-enenitrile is sourced from PubChem (CID 13464669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).