1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione

C13H13NO3 — CID 61207152

IUPAC1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(O)c2ccccc2)C1=O
InChIInChI=1S/C13H13NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h2-7,11,15H,8H2,1H3
InChIKeyXGXJGWQKCAUNFY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione

1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione (PubChem CID 61207152) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
PubChem CID61207152
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(O)c2ccccc2)C1=O
InChIInChI=1S/C13H13NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h2-7,11,15H,8H2,1H3
InChIKeyXGXJGWQKCAUNFY-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-2-hydroxy-1-phenylethyl]-3-methylpyrrole-2,5-dione
CID 107863751
2-fluoro-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoic acid
CID 167333245
6-(3-methyl-2,5-dioxopyrrol-1-yl)hexanoic acid;2-phenylpropan-1-amine
CID 67842870
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 14536961
2-[2-(4-aminophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 43461566
5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
1-(2-hydroxy-2-phenylethyl)-4-methylpyridin-2-one
CID 55153499
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione (CID 61207152) is 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(O)c2ccccc2)C1=O.
What is the InChIKey of 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is XGXJGWQKCAUNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-7-12(16)14(13(9)17)8-11(15)10-5-3-2-4-6-10/h2-7,11,15H,8H2,1H3.
What are the key properties of 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione?
1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61207152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).