1-but-3-enyl-3-fluoro-3-methylpyrrolidine

C9H16FN — CID 130611904

IUPAC1-but-3-enyl-3-fluoro-3-methylpyrrolidine
SMILESC=CCCN1CCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-3-4-6-11-7-5-9(2,10)8-11/h3H,1,4-8H2,2H3
InChIKeyCMJJAHJCYOKRBZ-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds3

About 1-but-3-enyl-3-fluoro-3-methylpyrrolidine

1-but-3-enyl-3-fluoro-3-methylpyrrolidine (PubChem CID 130611904) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-but-3-enyl-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name1-but-3-enyl-3-fluoro-3-methylpyrrolidine
PubChem CID130611904
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-but-3-enyl-3-fluoro-3-methylpyrrolidine
SMILESC=CCCN1CCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-3-4-6-11-7-5-9(2,10)8-11/h3H,1,4-8H2,2H3
InChIKeyCMJJAHJCYOKRBZ-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
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-enyl-3-fluoro-3-methylpyrrolidine?
The IUPAC name of 1-but-3-enyl-3-fluoro-3-methylpyrrolidine (CID 130611904) is 1-but-3-enyl-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for 1-but-3-enyl-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for 1-but-3-enyl-3-fluoro-3-methylpyrrolidine is C=CCCN1CCC(C)(F)C1.
What is the InChIKey of 1-but-3-enyl-3-fluoro-3-methylpyrrolidine?
The InChIKey is CMJJAHJCYOKRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-6-11-7-5-9(2,10)8-11/h3H,1,4-8H2,2H3.
What are the key properties of 1-but-3-enyl-3-fluoro-3-methylpyrrolidine?
1-but-3-enyl-3-fluoro-3-methylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 130611904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).