(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

C13H15NO2 — CID 7289774

IUPAC(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)[C@@H](O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3/t12-/m1/s1
InChIKeyCHWOYHFUFPPIJP-GFCCVEGCSA-N
MW217.27 g/mol
LogP1.68
Rot. Bonds2

About (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one

(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (PubChem CID 7289774) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
PubChem CID7289774
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=C(C)[C@@H](O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3/t12-/m1/s1
InChIKeyCHWOYHFUFPPIJP-GFCCVEGCSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
2-[(4-ethylphenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 143155464
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
(3E)-1-benzyl-3-ethylidene-4-fluoroazetidin-2-one
CID 10081669
2,4,6,8,10,12-hexabenzyl-2,4,6,8,10,12-hexazatetracyclo[5.5.0.03,11.05,9]dodec-1(7)-ene
CID 142760875
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
CID 156527480
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
1-benzyl-4-methyl-3-methylideneazetidin-2-one
CID 12680777
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one (CID 7289774) is (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is CC1=C(C)[C@@H](O)N(Cc2ccccc2)C1=O.
What is the InChIKey of (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is CHWOYHFUFPPIJP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-10(2)13(16)14(12(9)15)8-11-6-4-3-5-7-11/h3-7,12,15H,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one?
(2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-hydroxy-3,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 7289774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).