2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine

C9H16FN — CID 164922414

IUPAC2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
SMILESCC/C=C/C1CC(F)CN1C
InChIInChI=1S/C9H16FN/c1-3-4-5-9-6-8(10)7-11(9)2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+
InChIKeyOEIPOWUHZNOHJI-SNAWJCMRSA-N
MW157.23 g/mol
LogP1.99
Rot. Bonds2

About 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine

2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine (PubChem CID 164922414) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
PubChem CID164922414
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
SMILESCC/C=C/C1CC(F)CN1C
InChIInChI=1S/C9H16FN/c1-3-4-5-9-6-8(10)7-11(9)2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+
InChIKeyOEIPOWUHZNOHJI-SNAWJCMRSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.99
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

6-[(E)-but-1-enyl]-5-methyl-5-azaspiro[2.4]heptane
CID 164922234
(2S,4R)-2-(2,2-dimethylpropyl)-4-fluoro-1-methylpyrrolidine
CID 155459355
(2R,4S)-4-fluoro-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 155459347
4-fluoro-1-methyl-2-propan-2-ylpyrrolidine
CID 67725268
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174
4-ethyl-2,5-difluoro-1-methylpiperidine
CID 130434383
1-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]-2-methylpentan-1-one
CID 130410184
4-fluoro-1-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 21365802
1-(2-but-1-enylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 57358326
(Z)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117265759
(2R,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoro-1-methylpyrrolidine
CID 175795537
3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]piperidine
CID 163752232

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The IUPAC name of 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine (CID 164922414) is 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine is CC/C=C/C1CC(F)CN1C.
What is the InChIKey of 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The InChIKey is OEIPOWUHZNOHJI-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-5-9-6-8(10)7-11(9)2/h4-5,8-9H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 164922414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).