1-(3-Butenyl)pyrrolidine

C8H15N — CID 250707

IUPAC1-but-3-enylpyrrolidine
SMILESC=CCCN1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h2H,1,3-8H2
InChIKeyFOUQITQNYKZCHC-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-Butenyl)pyrrolidine

1-(3-Butenyl)pyrrolidine (PubChem CID 250707) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-but-3-enylpyrrolidine.

Molecular Properties

Compound Name1-(3-Butenyl)pyrrolidine
PubChem CID250707
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-but-3-enylpyrrolidine
SMILESC=CCCN1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h2H,1,3-8H2
InChIKeyFOUQITQNYKZCHC-UHFFFAOYSA-N
XLogP1.90
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity82

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-(2-propenyl)-
CID 558434
Pyrrolidine, 1-(1-butenyl)-
CID 5357122
1-(4-Pentenyl)pyrrolidine
CID 558404
[(2S)-1-but-3-enylpyrrolidin-2-yl]-tributylstannane
CID 11144130
1-But-1-enylpyrrolidine
CID 139649
Crotylpyrrolidine
CID 558582
N,N-diallylpyrrolidinium bromide
CID 15812374
1-But-3-en-2-ylpyrrolidine
CID 57120204
1-(1,2,2-Trifluorobut-3-enyl)pyrrolidine
CID 124118183
(3R)-1-but-3-enyl-3-fluoropyrrolidine
CID 144686706
1-But-2-enylpyrrolidine
CID 5367873
1,1-Bis(prop-2-enyl)pyrrolidin-1-ium chloride
CID 21946570

Frequently Asked Questions

What is the IUPAC name of 1-(3-Butenyl)pyrrolidine?
The IUPAC name of 1-(3-Butenyl)pyrrolidine (CID 250707) is 1-but-3-enylpyrrolidine.
What is the SMILES notation for 1-(3-Butenyl)pyrrolidine?
The canonical SMILES for 1-(3-Butenyl)pyrrolidine is C=CCCN1CCCC1.
What is the InChIKey of 1-(3-Butenyl)pyrrolidine?
The InChIKey is FOUQITQNYKZCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h2H,1,3-8H2.
What are the key properties of 1-(3-Butenyl)pyrrolidine?
1-(3-Butenyl)pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-Butenyl)pyrrolidine is sourced from PubChem (CID 250707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).