3-but-2-enylpyrrolidine

C8H15N — CID 54482809

IUPAC3-but-2-enylpyrrolidine
SMILESCC=CCC1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h2-3,8-9H,4-7H2,1H3
InChIKeyPQZOAYFCYTYHCE-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds2

About 3-but-2-enylpyrrolidine

3-but-2-enylpyrrolidine (PubChem CID 54482809) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-but-2-enylpyrrolidine.

Molecular Properties

Compound Name3-but-2-enylpyrrolidine
PubChem CID54482809
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-but-2-enylpyrrolidine
SMILESCC=CCC1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h2-3,8-9H,4-7H2,1H3
InChIKeyPQZOAYFCYTYHCE-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-methyl-N-(pyrrolidin-3-ylmethyl)but-2-en-1-amine
CID 143248520
3-ethylpyrrolidine;methanamine;(Z)-prop-1-en-1-amine
CID 143855109
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
ethane;3-ethylpyrrolidine
CID 143803201
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
3-(but-2-enoxymethyl)piperidine
CID 76940393
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
(Z)-5-piperidin-3-ylpent-3-enal
CID 117267797
3-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]piperidine
CID 143938977
3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enylpyrrolidine?
The IUPAC name of 3-but-2-enylpyrrolidine (CID 54482809) is 3-but-2-enylpyrrolidine.
What is the SMILES notation for 3-but-2-enylpyrrolidine?
The canonical SMILES for 3-but-2-enylpyrrolidine is CC=CCC1CCNC1.
What is the InChIKey of 3-but-2-enylpyrrolidine?
The InChIKey is PQZOAYFCYTYHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 3-but-2-enylpyrrolidine?
3-but-2-enylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enylpyrrolidine is sourced from PubChem (CID 54482809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).