1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one

C13H17NO2 — CID 107861552

IUPAC1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-12(14-8-4-7-13(14)16)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChIKeyYJUIGYXJTZWGCV-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.21
Rot. Bonds4

About 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one (PubChem CID 107861552) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
PubChem CID107861552
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-10-12(14-8-4-7-13(14)16)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChIKeyYJUIGYXJTZWGCV-GFCCVEGCSA-N
XLogP1.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
1-(4-tert-butylbenzoyl)-4-(1-hydroxy-3-phenylpropan-2-yl)-1,4-diazepan-5-one
CID 6098260
4-(1-hydroxy-3-phenylpropan-2-yl)-1-[2-(3-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 6098296
1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
1-(1-hydroxy-3-phenylpropan-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716672
(2S)-2-(1,1-dioxothiazinan-2-yl)-3-phenylpropan-1-ol
CID 114010346
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107861264
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102673706

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one (CID 107861552) is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one is O=C1CCCN1[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one?
The InChIKey is YJUIGYXJTZWGCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-12(14-8-4-7-13(14)16)9-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one?
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 107861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).