(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one

C12H13NO2 — CID 102003172

IUPAC(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-15-11-8-12(14)13-10(11)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyAPKXSKFTHMIJOA-SNVBAGLBSA-N
MW203.24 g/mol
LogP1.26
Rot. Bonds3

About (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one

(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one (PubChem CID 102003172) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one
PubChem CID102003172
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)N[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H13NO2/c1-15-11-8-12(14)13-10(11)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyAPKXSKFTHMIJOA-SNVBAGLBSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one
CID 137492079
2-benzyl-3-pentoxy-1,2-dihydropyrrol-5-one
CID 137492117
[(2S)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl] benzoate
CID 57414043
4-[(2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl)oxymethyl]benzonitrile
CID 137492025
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
2-benzyl-6-methyl-2,3-dihydro-1,3-thiazin-4-one
CID 13155804
(2S)-2-benzyl-3-[(2,3-dimethoxyphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(3-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-fluorophenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(2-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one;(2S)-2-benzyl-3-[(4-methylphenyl)methoxy]-1,2-dihydropyrrol-5-one
CID 158127606
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
6-benzylpiperazine-2,3,5-trione
CID 14446168

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one (CID 102003172) is (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one is COC1=CC(=O)N[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one?
The InChIKey is APKXSKFTHMIJOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-11-8-12(14)13-10(11)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one?
(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 102003172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).