1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one

C14H17NO3 — CID 62018618

IUPAC1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-2-18-12-7-5-11(6-8-12)13(16)10-15-9-3-4-14(15)17/h5-8H,2-4,9-10H2,1H3
InChIKeyMRHHKWVJJDAQJD-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 62018618) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID62018618
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
SMILESCCOc1ccc(C(=O)CN2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-2-18-12-7-5-11(6-8-12)13(16)10-15-9-3-4-14(15)17/h5-8H,2-4,9-10H2,1H3
InChIKeyMRHHKWVJJDAQJD-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82050319
1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 66847587
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidin-2-one
CID 62024658
1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 18098159
4-ethoxy-N-(2-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4673123
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82752898
1-[2-(3,4-difluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018275
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate
CID 8572864

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one (CID 62018618) is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one is CCOc1ccc(C(=O)CN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is MRHHKWVJJDAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-18-12-7-5-11(6-8-12)13(16)10-15-9-3-4-14(15)17/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 62018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).