4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

C10H18FN — CID 164922390

IUPAC4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/C1CC(F)CN1C
InChIInChI=1S/C10H18FN/c1-8(2)4-5-10-6-9(11)7-12(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyUEFBOLJAPMJGBE-SNAWJCMRSA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds2

About 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 164922390) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID164922390
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/C1CC(F)CN1C
InChIInChI=1S/C10H18FN/c1-8(2)4-5-10-6-9(11)7-12(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+
InChIKeyUEFBOLJAPMJGBE-SNAWJCMRSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.24
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

1-(Cyclohex-2-en-1-yl)pyrrolidine
CID 13623039
1-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118940548
3-Fluoro-1-hex-3-enyl-4-methylpyrrolidine
CID 123611111
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
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
CID 129295738
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
1-butyl-2-[(1Z,4E,6E)-4-ethenyl-6-(2-fluoropropan-2-yl)-3-methylideneocta-1,4,6-trienyl]-3-methylpyrrolidine
CID 137399870

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 164922390) is 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is CC(C)/C=C/C1CC(F)CN1C.
What is the InChIKey of 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is UEFBOLJAPMJGBE-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)4-5-10-6-9(11)7-12(10)3/h4-5,8-10H,6-7H2,1-3H3/b5-4+.
What are the key properties of 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 164922390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).