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

C9H16FN — CID 164921935

IUPAC(4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
SMILESCC/C=C/C1C[C@H](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+/t8-,9?/m0/s1
InChIKeyOEIPOWUHZNOHJI-HKGYXAODSA-N
MW157.23 g/mol
LogP1.99
Rot. Bonds2

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

(4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine (PubChem CID 164921935) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
PubChem CID164921935
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine
SMILESCC/C=C/C1C[C@H](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+/t8-,9?/m0/s1
InChIKeyOEIPOWUHZNOHJI-HKGYXAODSA-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

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CID 10772971
7-Methyl-7-azabicyclo[2.2.1]hept-2-ene
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CID 564942
N-[(Z)-3-fluorooct-2-enyl]-N-methylcyclohexanamine
CID 177852195
1-(Cyclohex-2-en-1-yl)pyrrolidine
CID 13623039
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CID 17903432
1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
1-Cyclohexa-2,4-dien-1-yl-3-fluoropyrrolidine
CID 88993113
1-But-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
CID 123701396
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 126637121

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine (CID 164921935) is (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine is CC/C=C/C1C[C@H](F)CN1C.
What is the InChIKey of (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
The InChIKey is OEIPOWUHZNOHJI-HKGYXAODSA-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+/t8-,9?/m0/s1.
What are the key properties of (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine?
(4S)-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 (4S)-2-[(E)-but-1-enyl]-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 164921935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).