2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C13H23NO2 — CID 169182695

IUPAC2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C[C@@H]2CCCO2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12/h10-12H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyGKIJJFCHLXYLIB-KIYNQFGBSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 169182695) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID169182695
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C[C@@H]2CCCO2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12/h10-12H,3-9H2,1-2H3/t11?,12-/m0/s1
InChIKeyGKIJJFCHLXYLIB-KIYNQFGBSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-ethoxy-N,N-diethylcyclopentane-1-carboxamide
CID 135081041
(2S,3R)-3-methoxy-2-methyl-1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 58185414
1-(3-Tert-butylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 58395174
2-(Oxolan-2-yl)-1-pyrrolidin-1-ylethanone
CID 60769342
1-(3-Ethylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 68260655
N-(2,3-dimethylbutan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 68318183
1-(3-Methylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 89616577
2-(1-methoxyethyl)-3-methyl-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 90244735
3-(1-Butoxypropyl)-1,4-dimethylpyrrolidine-2,5-dione
CID 121322621
3-(1-Butoxypropyl)-1-ethyl-4-methylpyrrolidine-2,5-dione
CID 121322626
1-[(2R)-2-ethyl-4-(methoxymethyl)pyrrolidin-1-yl]-2-(1-methoxyethyl)-3-methylbutan-1-one
CID 129252993
2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone
CID 137411548

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 169182695) is 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCN(C(=O)C[C@@H]2CCCO2)C1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is GKIJJFCHLXYLIB-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)11-5-6-14(9-11)13(15)8-12-4-3-7-16-12/h10-12H,3-9H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 169182695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).