1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one

C12H14FNO2 — CID 90933961

IUPAC1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cc(N2C(=O)CCC2CO)ccc1F
InChIInChI=1S/C12H14FNO2/c1-8-6-9(2-4-11(8)13)14-10(7-15)3-5-12(14)16/h2,4,6,10,15H,3,5,7H2,1H3
InChIKeyVDTIOONPFGVFNR-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one

1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 90933961) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID90933961
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCc1cc(N2C(=O)CCC2CO)ccc1F
InChIInChI=1S/C12H14FNO2/c1-8-6-9(2-4-11(8)13)14-10(7-15)3-5-12(14)16/h2,4,6,10,15H,3,5,7H2,1H3
InChIKeyVDTIOONPFGVFNR-UHFFFAOYSA-N
XLogP1.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxylate
CID 156014786
5-(Hydroxymethyl)-1-phenylpyrrolidin-2-one
CID 91297811
{(2S,4R)-4-(dimethylamino)-1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl}methanol
CID 91777258
3-Hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10857735
(3R)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 11086032
3-Hydroxymethyl-1-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one
CID 19434450
1-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 19822513
5-fluoro-1-(2-hydroxy-1-ethyl)-1,3-dihydro-2H-indol-2-one
CID 22116117
2-[2-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetic acid
CID 54468672
(3S)-3-hydroxy-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 57267486
[5-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-3-yl]-acetic acid
CID 57429663
(5-amino-2-fluorophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 57886440

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one (CID 90933961) is 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one is Cc1cc(N2C(=O)CCC2CO)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is VDTIOONPFGVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-6-9(2-4-11(8)13)14-10(7-15)3-5-12(14)16/h2,4,6,10,15H,3,5,7H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one?
1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 90933961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).