1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone

C15H21NO2 — CID 887520

IUPAC1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(C)c(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-8-12(2)13(3)14(9-11)18-10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyFBIHAYVIQPUCMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone

1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone (PubChem CID 887520) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone
PubChem CID887520
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(C)c(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-8-12(2)13(3)14(9-11)18-10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyFBIHAYVIQPUCMY-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 27189
Napropamide-M
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1-(Azocan-1-yl)-2-(3,4-dimethylphenoxy)ethanone
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1-[2-(5-Isopropyl-2-methylphenoxy)ethyl]pyrrolidine
CID 803034
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CID 868362
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N,N-diethyl-
CID 86318
1-[2-(2-Tert-butyl-5-methylphenoxy)ethyl]pyrrolidine
CID 803100
1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]pyrrolidine
CID 808142
2-(3,4-Dimethylphenoxy)-1-morpholin-4-ylethanone
CID 834348
2-(2-Naphthalenyloxy)-1-(1-pyrrolidinyl)ethanone
CID 875060

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone (CID 887520) is 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone is Cc1cc(C)c(C)c(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone?
The InChIKey is FBIHAYVIQPUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-12(2)13(3)14(9-11)18-10-15(17)16-6-4-5-7-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone?
1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)ethanone is sourced from PubChem (CID 887520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).