1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one

C15H21NO2 — CID 139322997

IUPAC1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C(C)C)CC1=O
InChIInChI=1S/C15H21NO2/c1-4-18-14-8-6-5-7-13(14)16-10-12(11(2)3)9-15(16)17/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyDUIQYLJAWKTKDK-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one

1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one (PubChem CID 139322997) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
PubChem CID139322997
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C(C)C)CC1=O
InChIInChI=1S/C15H21NO2/c1-4-18-14-8-6-5-7-13(14)16-10-12(11(2)3)9-15(16)17/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyDUIQYLJAWKTKDK-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
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
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one (CID 139322997) is 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one is CCOc1ccccc1N1CC(C(C)C)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is DUIQYLJAWKTKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-18-14-8-6-5-7-13(14)16-10-12(11(2)3)9-15(16)17/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 139322997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).