5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one

C13H15NO2 — CID 139246718

IUPAC5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
SMILESO=C1CCC(O)N1C/C=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7,12,15H,8-10H2/b7-4+
InChIKeyZENYGBMUAHUQMM-QPJJXVBHSA-N
MW217.27 g/mol
LogP1.64
Rot. Bonds3

About 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one

5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one (PubChem CID 139246718) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
PubChem CID139246718
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one
SMILESO=C1CCC(O)N1C/C=C/c1ccccc1
InChIInChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7,12,15H,8-10H2/b7-4+
InChIKeyZENYGBMUAHUQMM-QPJJXVBHSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(1S,5R)-8-[(E)-3-phenylprop-2-enyl]-8-azabicyclo[3.2.1]octan-3-one
CID 164887957
1-(3-phenylprop-2-enyl)-2,3-dihydroquinolin-4-one
CID 77033480
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
(3S,8aS)-3-methyl-2-[(E)-3-phenylprop-2-enyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 166598539
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72887582
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one (CID 139246718) is 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one is O=C1CCC(O)N1C/C=C/c1ccccc1.
What is the InChIKey of 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one?
The InChIKey is ZENYGBMUAHUQMM-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-8-9-13(16)14(12)10-4-7-11-5-2-1-3-6-11/h1-7,12,15H,8-10H2/b7-4+.
What are the key properties of 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one?
5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 139246718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).