1-pent-1-en-3-ylpyrrolidine

C9H17N — CID 68590702

IUPAC1-pent-1-en-3-ylpyrrolidine
SMILESC=CC(CC)N1CCCC1
InChIInChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3,9H,1,4-8H2,2H3
InChIKeyOFGKVKRZTMWSHH-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About 1-pent-1-en-3-ylpyrrolidine

1-pent-1-en-3-ylpyrrolidine (PubChem CID 68590702) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-pent-1-en-3-ylpyrrolidine.

Molecular Properties

Compound Name1-pent-1-en-3-ylpyrrolidine
PubChem CID68590702
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-pent-1-en-3-ylpyrrolidine
SMILESC=CC(CC)N1CCCC1
InChIInChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3,9H,1,4-8H2,2H3
InChIKeyOFGKVKRZTMWSHH-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-pent-1-en-3-ylpyrrolidine 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

1-(4-Pentenyl)pyrrolidine
CID 558404
Pyrrolidine, 1-(1-pentenyl)-
CID 5370211
Pyrrolidine, 2-methylene-1-(2-propenyl)-(9CI)
CID 21677163
tributyl-[(2S)-1-pent-4-enylpyrrolidin-2-yl]stannane
CID 12179697
2-Allyl-1-ethylpyrrolidine
CID 11829524
1-Hept-1-en-4-ylpyrrolidine
CID 12749033
(2S)-1-methyl-2-prop-2-enylpyrrolidine
CID 45087250
1-But-3-en-2-ylpyrrolidine
CID 57120204
Diallylpyrrolidine
CID 67695091
allyl N-butylpyrrolidine
CID 129724238
N-1-pentenyl-2-methylpyrrolidine
CID 129868752
1-(4,4-Difluorohexa-1,5-dien-3-yl)pyrrolidine
CID 155372748

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-en-3-ylpyrrolidine?
The IUPAC name of 1-pent-1-en-3-ylpyrrolidine (CID 68590702) is 1-pent-1-en-3-ylpyrrolidine.
What is the SMILES notation for 1-pent-1-en-3-ylpyrrolidine?
The canonical SMILES for 1-pent-1-en-3-ylpyrrolidine is C=CC(CC)N1CCCC1.
What is the InChIKey of 1-pent-1-en-3-ylpyrrolidine?
The InChIKey is OFGKVKRZTMWSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-9(4-2)10-7-5-6-8-10/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-pent-1-en-3-ylpyrrolidine?
1-pent-1-en-3-ylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-3-ylpyrrolidine is sourced from PubChem (CID 68590702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).