1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one

C14H17NO3 — CID 102373052

IUPAC1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyDGLDWNUBVYOTCV-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.78
Rot. Bonds4

About 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one

1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one (PubChem CID 102373052) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
PubChem CID102373052
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H17NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-5,7-8H,2-3,6,9-10H2,1H3
InChIKeyDGLDWNUBVYOTCV-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-[2,2,3,3-tetradeuterio-3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101320227
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
1-(4-methoxybenzoyl)pyrrolidin-2-one
CID 67930161
5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 153363857
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[(Z)-1-bromo-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one
CID 135004969
(2,5-dioxopyrrolidin-1-yl) 3-(4-methoxyphenyl)propanoate
CID 15690079
3-(4-methoxyphenyl)-1-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110316014
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one (CID 102373052) is 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one is COc1ccc(CCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one?
The InChIKey is DGLDWNUBVYOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-18-12-7-4-11(5-8-12)6-9-14(17)15-10-2-3-13(15)16/h4-5,7-8H,2-3,6,9-10H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one?
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one is sourced from PubChem (CID 102373052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).