(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine

C8H16N2 — CID 117267558

IUPAC(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine
SMILESNCC/C=C\C1CCCN1
InChIInChI=1S/C8H16N2/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8,10H,2-3,5-7,9H2/b4-1-
InChIKeyJZGJQDUEAWIWIL-RJRFIUFISA-N
MW140.23 g/mol
LogP0.64
Rot. Bonds3

About (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine

(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine (PubChem CID 117267558) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine
PubChem CID117267558
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine
SMILESNCC/C=C\C1CCCN1
InChIInChI=1S/C8H16N2/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8,10H,2-3,5-7,9H2/b4-1-
InChIKeyJZGJQDUEAWIWIL-RJRFIUFISA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-piperidin-2-ylbut-3-en-1-amine
CID 117267610
2-[(Z)-pent-1-enyl]pyrrolidine
CID 55300671
ethyl (E)-4-pyrrolidin-2-ylbut-3-enoate
CID 126845658
(E)-3-[(2R)-pyrrolidin-2-yl]prop-2-enoic acid
CID 155072463
1-pyrrolidin-2-ylethane-1,2-diamine
CID 10866359
2-[(E)-2-(oxolan-2-yl)ethenyl]pyrrolidine;hydrochloride
CID 126845598
tributyl-[(Z)-2-[(2S)-pyrrolidin-2-yl]ethenyl]stannane
CID 90117435
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
2-pyrrolidin-2-ylethanamine
CID 14030009
2-(2-phenylethenyl)pyrrolidine
CID 3705120
(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329

Frequently Asked Questions

What is the IUPAC name of (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine?
The IUPAC name of (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine (CID 117267558) is (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine.
What is the SMILES notation for (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine?
The canonical SMILES for (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine is NCC/C=C\C1CCCN1.
What is the InChIKey of (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine?
The InChIKey is JZGJQDUEAWIWIL-RJRFIUFISA-N. The full InChI is InChI=1S/C8H16N2/c9-6-2-1-4-8-5-3-7-10-8/h1,4,8,10H,2-3,5-7,9H2/b4-1-.
What are the key properties of (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine?
(Z)-4-pyrrolidin-2-ylbut-3-en-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-pyrrolidin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 117267558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).