1-but-3-en-2-ylpyrrolidine

C8H15N — CID 57120204

IUPAC1-but-3-en-2-ylpyrrolidine
SMILESC=CC(C)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3,8H,1,4-7H2,2H3
InChIKeyRPDVSDGUMFOUOB-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds2

About 1-but-3-en-2-ylpyrrolidine

1-but-3-en-2-ylpyrrolidine (PubChem CID 57120204) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-but-3-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-but-3-en-2-ylpyrrolidine
PubChem CID57120204
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-but-3-en-2-ylpyrrolidine
SMILESC=CC(C)N1CCCC1
InChIInChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3,8H,1,4-7H2,2H3
InChIKeyRPDVSDGUMFOUOB-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-but-3-en-2-ylpyrrolidine?
The IUPAC name of 1-but-3-en-2-ylpyrrolidine (CID 57120204) is 1-but-3-en-2-ylpyrrolidine.
What is the SMILES notation for 1-but-3-en-2-ylpyrrolidine?
The canonical SMILES for 1-but-3-en-2-ylpyrrolidine is C=CC(C)N1CCCC1.
What is the InChIKey of 1-but-3-en-2-ylpyrrolidine?
The InChIKey is RPDVSDGUMFOUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(2)9-6-4-5-7-9/h3,8H,1,4-7H2,2H3.
What are the key properties of 1-but-3-en-2-ylpyrrolidine?
1-but-3-en-2-ylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylpyrrolidine is sourced from PubChem (CID 57120204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).