(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one

C12H13NO2 — CID 11106441

IUPAC(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@H](O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-7,11,14H,8-9H2/t11-/m0/s1
InChIKeyXIOTXDOIWZEAJW-NSHDSACASA-N
MW203.24 g/mol
LogP0.95
Rot. Bonds3

About (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one

(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one (PubChem CID 11106441) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
PubChem CID11106441
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one
SMILESO=C1C=C[C@H](O)N1CCc1ccccc1
InChIInChI=1S/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-7,11,14H,8-9H2/t11-/m0/s1
InChIKeyXIOTXDOIWZEAJW-NSHDSACASA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
1-(3-amino-3-hydroxypropyl)-2-hydroxy-2H-pyrrol-5-one
CID 126589528
1-heptyl-2-hydroxy-2H-pyrrol-5-one
CID 14479801
(3S)-3-hydroxy-2-(2-phenylethyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 7299547
(4R)-4-ethyl-1-(2-phenylethyl)azetidin-2-one
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(3aS,7aS)-1-(2-phenylethyl)-3a,7a-dihydroindole-2,3-dione
CID 30088193
3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
(1S,2S,6S,7R)-4-(2-phenylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541210
(2S)-1-benzyl-2-(1-hydroxycyclobutyl)-2H-pyrrol-5-one
CID 125485916
3-(2-phenylethyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 141144025
4-oxo-3-(2-phenylethyl)-1,3-thiazolidine-2-sulfonic acid
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3,4-diphenyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 102100803

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one (CID 11106441) is (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one is O=C1C=C[C@H](O)N1CCc1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
The InChIKey is XIOTXDOIWZEAJW-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-7,11,14H,8-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one?
(2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one has a molecular weight of 203.24 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-(2-phenylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 11106441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).