1-pyrrolidin-2-ylbut-3-en-1-amine

C8H16N2 — CID 67938073

IUPAC1-pyrrolidin-2-ylbut-3-en-1-amine
SMILESC=CCC(N)C1CCCN1
InChIInChI=1S/C8H16N2/c1-2-4-7(9)8-5-3-6-10-8/h2,7-8,10H,1,3-6,9H2
InChIKeyJBTHUNGNLKRPAT-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.64
Rot. Bonds3

About 1-pyrrolidin-2-ylbut-3-en-1-amine

1-pyrrolidin-2-ylbut-3-en-1-amine (PubChem CID 67938073) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name1-pyrrolidin-2-ylbut-3-en-1-amine
PubChem CID67938073
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-pyrrolidin-2-ylbut-3-en-1-amine
SMILESC=CCC(N)C1CCCN1
InChIInChI=1S/C8H16N2/c1-2-4-7(9)8-5-3-6-10-8/h2,7-8,10H,1,3-6,9H2
InChIKeyJBTHUNGNLKRPAT-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylbut-3-en-1-amine?
The IUPAC name of 1-pyrrolidin-2-ylbut-3-en-1-amine (CID 67938073) is 1-pyrrolidin-2-ylbut-3-en-1-amine.
What is the SMILES notation for 1-pyrrolidin-2-ylbut-3-en-1-amine?
The canonical SMILES for 1-pyrrolidin-2-ylbut-3-en-1-amine is C=CCC(N)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylbut-3-en-1-amine?
The InChIKey is JBTHUNGNLKRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-4-7(9)8-5-3-6-10-8/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 1-pyrrolidin-2-ylbut-3-en-1-amine?
1-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 1-pyrrolidin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 67938073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).