1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one

C17H21NO3 — CID 79577774

IUPAC1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCC1CCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21NO3/c19-16-7-1-4-13(16)9-11-21-15-6-2-5-14(12-15)18-10-3-8-17(18)20/h2,5-6,12-13H,1,3-4,7-11H2
InChIKeyXIGMZOHFEOZSPD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one

1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 79577774) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
PubChem CID79577774
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCC1CCOc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H21NO3/c19-16-7-1-4-13(16)9-11-21-15-6-2-5-14(12-15)18-10-3-8-17(18)20/h2,5-6,12-13H,1,3-4,7-11H2
InChIKeyXIGMZOHFEOZSPD-UHFFFAOYSA-N
XLogP2.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
3-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79565439
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
5-[3-(2-oxopyrrolidin-1-yl)phenoxy]pentanehydrazide
CID 63570883
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
1-[3-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119561650
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
6-[2-(2-oxocyclopentyl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 79566144
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
methyl 2,2-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoate
CID 79620550

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one (CID 79577774) is 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one is O=C1CCCC1CCOc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is XIGMZOHFEOZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16-7-1-4-13(16)9-11-21-15-6-2-5-14(12-15)18-10-3-8-17(18)20/h2,5-6,12-13H,1,3-4,7-11H2.
What are the key properties of 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one?
1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-oxocyclopentyl)ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 79577774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).