1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one

C12H15FN2O2 — CID 168702104

IUPAC1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)c1ccc(N2CC(O)CC2=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-14(2)11-4-3-8(5-10(11)13)15-7-9(16)6-12(15)17/h3-5,9,16H,6-7H2,1-2H3
InChIKeyBZXHYJSVMGFBTB-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.99
Rot. Bonds2

About 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one

1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702104) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702104
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one
SMILESCN(C)c1ccc(N2CC(O)CC2=O)cc1F
InChIInChI=1S/C12H15FN2O2/c1-14(2)11-4-3-8(5-10(11)13)15-7-9(16)6-12(15)17/h3-5,9,16H,6-7H2,1-2H3
InChIKeyBZXHYJSVMGFBTB-UHFFFAOYSA-N
XLogP0.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)-3-fluorophenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669946
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
1-(4-bromo-3,5-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168703474
4-hydroxy-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168702485
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
methyl 2-hydroxy-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702194
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
4-hydroxy-1-(1-methylbenzimidazol-5-yl)pyrrolidin-2-one
CID 168702802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one (CID 168702104) is 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one is CN(C)c1ccc(N2CC(O)CC2=O)cc1F.
What is the InChIKey of 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is BZXHYJSVMGFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-14(2)11-4-3-8(5-10(11)13)15-7-9(16)6-12(15)17/h3-5,9,16H,6-7H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one?
1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-fluorophenyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).