1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one

C12H14FNO2 — CID 117021898

IUPAC1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(CO)CC(=O)N1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-8-9(7-15)6-12(16)14(8)11-5-3-2-4-10(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyVGQPNVWMPOCQLH-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds2

About 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one

1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one (PubChem CID 117021898) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
PubChem CID117021898
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
SMILESCC1C(CO)CC(=O)N1c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-8-9(7-15)6-12(16)14(8)11-5-3-2-4-10(11)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyVGQPNVWMPOCQLH-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-fluorophenyl)-2-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 117021760
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
CID 117022081
1-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021935
1-(4-ethoxyphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021917
4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
CID 22677650
4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one
CID 117022547
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
1-[2-(hydroxymethyl)phenyl]-4-methylpiperidine-2,6-dione
CID 62934174
4-(hydroxymethyl)-5-methyl-1-propylpyrrolidin-2-one
CID 117021849
1-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506746
[(3S,4R)-4-(2-fluorophenyl)-1-methylpiperidin-3-yl]methanol
CID 57377167

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one (CID 117021898) is 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one is CC1C(CO)CC(=O)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
The InChIKey is VGQPNVWMPOCQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-9(7-15)6-12(16)14(8)11-5-3-2-4-10(11)13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one?
1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117021898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).