1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one

C13H17NO2 — CID 129259594

IUPAC1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C)CC1=O
InChIInChI=1S/C13H17NO2/c1-3-16-12-7-5-4-6-11(12)14-9-10(2)8-13(14)15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyAMZOKOIECUHUBR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.46
Rot. Bonds3

About 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one

1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one (PubChem CID 129259594) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
PubChem CID129259594
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C)CC1=O
InChIInChI=1S/C13H17NO2/c1-3-16-12-7-5-4-6-11(12)14-9-10(2)8-13(14)15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyAMZOKOIECUHUBR-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
CID 139322997
1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one
CID 137429706
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119233252
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one (CID 129259594) is 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one is CCOc1ccccc1N1CC(C)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one?
The InChIKey is AMZOKOIECUHUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-12-7-5-4-6-11(12)14-9-10(2)8-13(14)15/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 129259594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).