4-(hydroxymethyl)-4-phenylpyrrolidin-2-one

C11H13NO2 — CID 105444890

IUPAC4-(hydroxymethyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(CO)(c2ccccc2)CN1
InChIInChI=1S/C11H13NO2/c13-8-11(6-10(14)12-7-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)
InChIKeyOKIQSCNPQUOBGF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.44
Rot. Bonds2

About 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one

4-(hydroxymethyl)-4-phenylpyrrolidin-2-one (PubChem CID 105444890) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-4-phenylpyrrolidin-2-one
PubChem CID105444890
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-(hydroxymethyl)-4-phenylpyrrolidin-2-one
SMILESO=C1CC(CO)(c2ccccc2)CN1
InChIInChI=1S/C11H13NO2/c13-8-11(6-10(14)12-7-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14)
InChIKeyOKIQSCNPQUOBGF-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 2836868
Mls003171156
CID 338072
(3S,4R)-2-oxo-4-phenylpyrrolidine-3-carboxylic acid
CID 762603
Streptopyrrolidine
CID 25033126
(4S,5S)-5-benzyl-4-hydroxypyrrolidin-2-one
CID 11310032
1-Pyrrolidinepropanamide, alpha-(2-hydroxy-1-phenylethyl)-
CID 3062962
(3-Phenylpyrrolidin-3-yl)methanol
CID 68201267
3-hydroxy-2,2-dimethyl-4-phenyl-N-prop-2-enylbutanamide
CID 24894022
4-(3-Fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 105462669
3-(Hydroxymethyl)-1-methyl-3-phenylpyrrolidine-2,5-dione
CID 54524291
(3S,4R)-3-fluoro-3-[(1S)-1-hydroxyethyl]-4-phenylpyrrolidin-2-one
CID 134964162
5-[3-(2,6-Difluorophenyl)oxetan-3-yl]pyrrolidin-2-one
CID 166445262

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one (CID 105444890) is 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one is O=C1CC(CO)(c2ccccc2)CN1.
What is the InChIKey of 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one?
The InChIKey is OKIQSCNPQUOBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-11(6-10(14)12-7-11)9-4-2-1-3-5-9/h1-5,13H,6-8H2,(H,12,14).
What are the key properties of 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one?
4-(hydroxymethyl)-4-phenylpyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 105444890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).