1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione

C15H17NO3 — CID 107861517

IUPAC1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N([C@@H](CO)Cc2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-10-11(2)15(19)16(14(10)18)13(9-17)8-12-6-4-3-5-7-12/h3-7,13,17H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyPYPVEVBBXUNAQK-CYBMUJFWSA-N
MW259.31 g/mol
LogP1.30
Rot. Bonds4

About 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 107861517) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID107861517
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N([C@@H](CO)Cc2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-10-11(2)15(19)16(14(10)18)13(9-17)8-12-6-4-3-5-7-12/h3-7,13,17H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyPYPVEVBBXUNAQK-CYBMUJFWSA-N
XLogP1.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.30
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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
CID 11435866
2-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104549566
(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
CID 107863705
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
1-(1-hydroxy-3-phenylpropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168707836
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168503437
2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
CID 15354128

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione (CID 107861517) is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N([C@@H](CO)Cc2ccccc2)C1=O.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is PYPVEVBBXUNAQK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-11(2)15(19)16(14(10)18)13(9-17)8-12-6-4-3-5-7-12/h3-7,13,17H,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione?
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 107861517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).