2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol

C10H18FNO — CID 91025545

IUPAC2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol
SMILESC=C(C)C(F)C(O)C1CCN(C)C1
InChIInChI=1S/C10H18FNO/c1-7(2)9(11)10(13)8-4-5-12(3)6-8/h8-10,13H,1,4-6H2,2-3H3
InChIKeyYEUJXIKLJXAFBG-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.21
Rot. Bonds3

About 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol

2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol (PubChem CID 91025545) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol
PubChem CID91025545
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol
SMILESC=C(C)C(F)C(O)C1CCN(C)C1
InChIInChI=1S/C10H18FNO/c1-7(2)9(11)10(13)8-4-5-12(3)6-8/h8-10,13H,1,4-6H2,2-3H3
InChIKeyYEUJXIKLJXAFBG-UHFFFAOYSA-N
XLogP1.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526
2,5-Dimethyl-5-pyrrolidin-1-ylhept-1-en-4-ol
CID 79178906
5-Ethyl-2-methyl-5-pyrrolidin-1-ylhept-1-en-4-ol
CID 79179347
(1S)-1-[(3S)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-yl]ethanol
CID 100663009
1-(1-Hept-6-enylpyrrolidin-3-yl)ethanol
CID 107010119
1-[1-(2-Methylidenebutyl)pyrrolidin-3-yl]ethanol
CID 112628387
1-(1-Pent-4-enylpyrrolidin-3-yl)ethanol
CID 112628477
1-[1-(3-Methylbut-3-enyl)pyrrolidin-3-yl]ethanol
CID 114449131
1-[1-[(2,6-Dimethylcyclohex-2-en-1-yl)methyl]pyrrolidin-3-yl]ethanol
CID 121516700
(1R)-1-[(3S)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-yl]ethanol
CID 129401332
(1S)-1-[(3R)-1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]pyrrolidin-3-yl]ethanol
CID 129429753

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol?
The IUPAC name of 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol (CID 91025545) is 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol.
What is the SMILES notation for 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol?
The canonical SMILES for 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol is C=C(C)C(F)C(O)C1CCN(C)C1.
What is the InChIKey of 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol?
The InChIKey is YEUJXIKLJXAFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)9(11)10(13)8-4-5-12(3)6-8/h8-10,13H,1,4-6H2,2-3H3.
What are the key properties of 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol?
2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol has a molecular weight of 187.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-1-(1-methylpyrrolidin-3-yl)but-3-en-1-ol is sourced from PubChem (CID 91025545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).