2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone

C11H21NO2 — CID 112604725

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9-6-5-7-12(9)10(13)8-14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyISHQGTMNGBBEEI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone

2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 112604725) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID112604725
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCCN1C(=O)COC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9-6-5-7-12(9)10(13)8-14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyISHQGTMNGBBEEI-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167346885
1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605480
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 114221624
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170
1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968533
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone (CID 112604725) is 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone is CC1CCCN1C(=O)COC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is ISHQGTMNGBBEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-5-7-12(9)10(13)8-14-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone?
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 199.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 112604725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).