1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone

C10H19NO2 — CID 116592045

IUPAC1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCNC1C
InChIInChI=1S/C10H19NO2/c1-7(2)13-6-10(12)9-4-5-11-8(9)3/h7-9,11H,4-6H2,1-3H3
InChIKeyFOLHHBHVMVGXOU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.98
Rot. Bonds4

About 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone

1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone (PubChem CID 116592045) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone
PubChem CID116592045
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCNC1C
InChIInChI=1S/C10H19NO2/c1-7(2)13-6-10(12)9-4-5-11-8(9)3/h7-9,11H,4-6H2,1-3H3
InChIKeyFOLHHBHVMVGXOU-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-methylpyrrolidin-3-yl)hexan-1-one
CID 116592103
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
CID 105105339
N-(1-ethoxypropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388083
2-methyl-N-(4-propan-2-yloxybutyl)piperidine-3-carboxamide
CID 114137522
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
2-cyclohex-3-en-1-yl-1-(2-methylpyrrolidin-3-yl)ethanone
CID 164655819

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone (CID 116592045) is 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1CCNC1C.
What is the InChIKey of 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone?
The InChIKey is FOLHHBHVMVGXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)13-6-10(12)9-4-5-11-8(9)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone?
1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone has a molecular weight of 185.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidin-3-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 116592045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).