1-but-2-enyl-3-methylpyrrolidine

C9H17N — CID 74047449

IUPAC1-but-2-enyl-3-methylpyrrolidine
SMILESCC=CCN1CCC(C)C1
InChIInChI=1S/C9H17N/c1-3-4-6-10-7-5-9(2)8-10/h3-4,9H,5-8H2,1-2H3
InChIKeyCQFIXBJGBDOIAA-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds2

About 1-but-2-enyl-3-methylpyrrolidine

1-but-2-enyl-3-methylpyrrolidine (PubChem CID 74047449) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-but-2-enyl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-but-2-enyl-3-methylpyrrolidine
PubChem CID74047449
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-but-2-enyl-3-methylpyrrolidine
SMILESCC=CCN1CCC(C)C1
InChIInChI=1S/C9H17N/c1-3-4-6-10-7-5-9(2)8-10/h3-4,9H,5-8H2,1-2H3
InChIKeyCQFIXBJGBDOIAA-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
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

Crotylpyrrolidine
CID 558582
1-Allyl-1-methylpyrrolidinium chloride
CID 20062952
1-But-2-enylpyrrolidine
CID 5367873
3-Ethenyl-4-methyl-1-propylpyrrolidine
CID 85348656
Diallyl-i-Amylamin
CID 129888523
3-Fluoro-3-methyl-1-prop-2-enylpyrrolidine
CID 127002185
3-(Difluoromethyl)-1-(3-methylbut-2-enyl)pyrrolidine
CID 130736665
3-Fluoro-3-methyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 131042091
1-[(E)-4-methylpent-2-enyl]pyrrolidine
CID 10034814
1-[(2E,4E)-hexa-2,4-dienyl]pyrrolidine
CID 12530644
3-methyl-N-(3-methylbutyl)-N-prop-2-enylbutan-1-amine
CID 13516712
1-Methyl-1-prop-2-enylpyrrolidin-1-ium
CID 14693168

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enyl-3-methylpyrrolidine?
The IUPAC name of 1-but-2-enyl-3-methylpyrrolidine (CID 74047449) is 1-but-2-enyl-3-methylpyrrolidine.
What is the SMILES notation for 1-but-2-enyl-3-methylpyrrolidine?
The canonical SMILES for 1-but-2-enyl-3-methylpyrrolidine is CC=CCN1CCC(C)C1.
What is the InChIKey of 1-but-2-enyl-3-methylpyrrolidine?
The InChIKey is CQFIXBJGBDOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-10-7-5-9(2)8-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-but-2-enyl-3-methylpyrrolidine?
1-but-2-enyl-3-methylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-methylpyrrolidine is sourced from PubChem (CID 74047449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).