3-[(E)-but-2-en-2-yl]pyrrolidine

C8H15N — CID 122236928

IUPAC3-[(E)-but-2-en-2-yl]pyrrolidine
SMILESC/C=C(\C)C1CCNC1
InChIInChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+
InChIKeyAXUMPVHUADTIGE-XVNBXDOJSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds1

About 3-[(E)-but-2-en-2-yl]pyrrolidine

3-[(E)-but-2-en-2-yl]pyrrolidine (PubChem CID 122236928) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]pyrrolidine
PubChem CID122236928
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-[(E)-but-2-en-2-yl]pyrrolidine
SMILESC/C=C(\C)C1CCNC1
InChIInChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+
InChIKeyAXUMPVHUADTIGE-XVNBXDOJSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

4-[(E)-but-2-en-2-yl]piperidine
CID 134286079
1-pyrrolidin-3-ylbut-2-en-1-one
CID 168664788
1-[(3R)-pyrrolidin-3-yl]ethanimine
CID 142640278
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
CID 178093909
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine;ethene
CID 178093908
ethane;(E)-N-methyl-2-pyrrolidin-3-ylbut-1-en-1-amine
CID 143994230
N-acetylpyrrolidine-3-carboxamide
CID 69120322
2-[(E)-but-2-en-2-yl]piperazine;ethane
CID 169255491
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
CID 142494932
methyl pyrrolidine-3-carboxylate
CID 4114360

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]pyrrolidine?
The IUPAC name of 3-[(E)-but-2-en-2-yl]pyrrolidine (CID 122236928) is 3-[(E)-but-2-en-2-yl]pyrrolidine.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]pyrrolidine?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]pyrrolidine is C/C=C(\C)C1CCNC1.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]pyrrolidine?
The InChIKey is AXUMPVHUADTIGE-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7(2)8-4-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+.
What are the key properties of 3-[(E)-but-2-en-2-yl]pyrrolidine?
3-[(E)-but-2-en-2-yl]pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]pyrrolidine is sourced from PubChem (CID 122236928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).