(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one

C19H19NO2 — CID 137492079

IUPAC(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCCc2ccccc2)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C19H19NO2/c21-19-14-18(22-12-11-15-7-3-1-4-8-15)17(20-19)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,20,21)/t17-/m0/s1
InChIKeyVHXDHGUUULYEPE-KRWDZBQOSA-N
MW293.37 g/mol
LogP2.87
Rot. Bonds6

About (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one

(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one (PubChem CID 137492079) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one
PubChem CID137492079
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(OCCc2ccccc2)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C19H19NO2/c21-19-14-18(22-12-11-15-7-3-1-4-8-15)17(20-19)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,20,21)/t17-/m0/s1
InChIKeyVHXDHGUUULYEPE-KRWDZBQOSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-pentoxy-1,2-dihydropyrrol-5-one
CID 137492117
(2R)-2-benzyl-3-methoxy-1,2-dihydropyrrol-5-one
CID 102003172
4-[(2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl)oxymethyl]benzonitrile
CID 137492025
[(2S)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl] benzoate
CID 57414043
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
(1S,5S)-7-(2-phenylethoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11031555
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405
6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 146557840
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(5S)-5-benzylpyrrolidine-2,4-dione
CID 82404721
6-benzylpiperazine-2,3,5-trione
CID 14446168
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one (CID 137492079) is (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one is O=C1C=C(OCCc2ccccc2)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one?
The InChIKey is VHXDHGUUULYEPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19-14-18(22-12-11-15-7-3-1-4-8-15)17(20-19)13-16-9-5-2-6-10-16/h1-10,14,17H,11-13H2,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one?
(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one has a molecular weight of 293.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 137492079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).