2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one

C11H21NO2 — CID 140629108

IUPAC2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
SMILESCC(C)OC1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)12-6-5-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXNKTYUXTZFYMBD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one

2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one (PubChem CID 140629108) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
PubChem CID140629108
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
SMILESCC(C)OC1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)11(13)12-6-5-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyXNKTYUXTZFYMBD-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
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oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
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2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
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CID 77445876
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
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1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
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(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 158245312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one (CID 140629108) is 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one is CC(C)OC1CCN(C(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one?
The InChIKey is XNKTYUXTZFYMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(13)12-6-5-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one?
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 140629108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).