1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one

C15H21NO2 — CID 94689193

IUPAC1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
SMILESCC(C)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)13-5-7-14(8-6-13)18-11-10-16-9-3-4-15(16)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyRPOXIIHSDLPJGA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one

1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 94689193) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID94689193
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
SMILESCC(C)c1ccc(OCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21NO2/c1-12(2)13-5-7-14(8-6-13)18-11-10-16-9-3-4-15(16)17/h5-8,12H,3-4,9-11H2,1-2H3
InChIKeyRPOXIIHSDLPJGA-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoate
CID 7438087
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzohydrazide
CID 55213254
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[3-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propyl]pyrrolidin-2-one
CID 47503100
3-(4-butan-2-ylphenoxy)-N,N-diethylpropan-1-amine;1-butylpyrrolidin-2-one
CID 142171747
1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 58735421
CID 161147503
CID 161147503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one (CID 94689193) is 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one is CC(C)c1ccc(OCCN2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is RPOXIIHSDLPJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(2)13-5-7-14(8-6-13)18-11-10-16-9-3-4-15(16)17/h5-8,12H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 94689193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).