(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine

C11H18FN — CID 174300924

IUPAC(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine
SMILESC=C(C)C/C(F)=C1\CNC(C)(C)C1
InChIInChI=1S/C11H18FN/c1-8(2)5-10(12)9-6-11(3,4)13-7-9/h13H,1,5-7H2,2-4H3/b10-9+
InChIKeyXRIYQESIIMZRMT-MDZDMXLPSA-N
MW183.27 g/mol
LogP2.95
Rot. Bonds2

About (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine

(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine (PubChem CID 174300924) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine
PubChem CID174300924
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine
SMILESC=C(C)C/C(F)=C1\CNC(C)(C)C1
InChIInChI=1S/C11H18FN/c1-8(2)5-10(12)9-6-11(3,4)13-7-9/h13H,1,5-7H2,2-4H3/b10-9+
InChIKeyXRIYQESIIMZRMT-MDZDMXLPSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 162414798
(2R)-2-[(2E,4E)-5-ethyl-6-fluoro-6-methylhepta-2,4-dien-2-yl]pyrrolidine
CID 145012084
7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
(4E)-2-ethyl-4-(fluoromethylidene)-2-propan-2-ylpyrrolidine
CID 176954846
2-[(E)-2-methylbut-1-enyl]pyrrolidine
CID 55300541
2-[(Z)-2-methylbut-1-enyl]pyrrolidine
CID 134994044
2-(1-Fluoro-3-methylbut-2-enyl)pyrrolidine
CID 106640341
3-(2-Fluoro-4-methylpent-3-en-2-yl)pyrrolidine
CID 127016520
4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine
CID 130538852

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine?
The IUPAC name of (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine (CID 174300924) is (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine.
What is the SMILES notation for (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine?
The canonical SMILES for (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine is C=C(C)C/C(F)=C1\CNC(C)(C)C1.
What is the InChIKey of (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine?
The InChIKey is XRIYQESIIMZRMT-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18FN/c1-8(2)5-10(12)9-6-11(3,4)13-7-9/h13H,1,5-7H2,2-4H3/b10-9+.
What are the key properties of (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine?
(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine has a molecular weight of 183.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 174300924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).