1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one

C11H21NO2 — CID 115887075

IUPAC1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)OC
InChIInChI=1S/C11H21NO2/c1-5-10-7-6-8(2)12(10)11(13)9(3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyXXPPGYVROHJNDR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one

1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one (PubChem CID 115887075) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
PubChem CID115887075
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
SMILESCCC1CCC(C)N1C(=O)C(C)OC
InChIInChI=1S/C11H21NO2/c1-5-10-7-6-8(2)12(10)11(13)9(3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyXXPPGYVROHJNDR-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
1-[(5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 90247385
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
3-[(2R,6S)-2-ethyl-6-methylpiperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 131963736
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
CID 115737245
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
2-ethyl-N-(2-methoxyethyl)-5-methylpyrrolidine-1-carbothioamide
CID 116509860
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one (CID 115887075) is 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one is CCC1CCC(C)N1C(=O)C(C)OC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is XXPPGYVROHJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-10-7-6-8(2)12(10)11(13)9(3)14-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one?
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 115887075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).