3-[hydroxy(phenyl)methyl]pyrrolidin-2-one

C11H13NO2 — CID 142674016

IUPAC3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1C(O)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-10(8-4-2-1-3-5-8)9-6-7-12-11(9)14/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeyFPEISCRHRVVORF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.86
Rot. Bonds2

About 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one

3-[hydroxy(phenyl)methyl]pyrrolidin-2-one (PubChem CID 142674016) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
PubChem CID142674016
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
SMILESO=C1NCCC1C(O)c1ccccc1
InChIInChI=1S/C11H13NO2/c13-10(8-4-2-1-3-5-8)9-6-7-12-11(9)14/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeyFPEISCRHRVVORF-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238
3-[(3-hydroxyphenyl)-phenylmethyl]azepan-2-one
CID 54337179
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
(2-oxopyrrolidin-3-yl)-triphenylphosphanium
CID 10788547
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
5-[(R)-hydroxy(phenyl)methyl]-2-[(R)-hydroxy(phenyl)methyl]cyclopent-2-en-1-one
CID 101213722
3-[hydroxy-(3-methylcyclopentyl)methyl]pyrrolidin-2-one
CID 20647908
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one (CID 142674016) is 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one is O=C1NCCC1C(O)c1ccccc1.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one?
The InChIKey is FPEISCRHRVVORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-10(8-4-2-1-3-5-8)9-6-7-12-11(9)14/h1-5,9-10,13H,6-7H2,(H,12,14).
What are the key properties of 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one?
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 142674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).