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

C13H23NO2 — CID 176724619

IUPAC2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C[C@@H]2CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)12-3-5-14(8-12)13(15)7-11-4-6-16-9-11/h10-12H,3-9H2,1-2H3/t11-,12?/m0/s1
InChIKeyGTLNTMYWANBRRK-PXYINDEMSA-N
MW225.33 g/mol
LogP1.92
Rot. Bonds3

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

2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 176724619) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID176724619
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)C[C@@H]2CCOC2)C1
InChIInChI=1S/C13H23NO2/c1-10(2)12-3-5-14(8-12)13(15)7-11-4-6-16-9-11/h10-12H,3-9H2,1-2H3/t11-,12?/m0/s1
InChIKeyGTLNTMYWANBRRK-PXYINDEMSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Butyl-6a-methylhexahydro-5h-furo[2,3-b]pyrrol-5-one
CID 281860
3-[(3s)-Oxolan-3-Yl]-1-(Pyrrolidin-1-Yl)propan-1-One
CID 126456387
1-(3,3-diethylpyrrolidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 124295121
ethyl (3S,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate
CID 134975846
ethyl (3R,4R)-3,4-dimethyl-5-oxo-5-pyrrolidin-1-ylpentanoate
CID 134975912
1-(2-Oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 131653201
N-methyl-2-[(3R)-oxolan-3-yl]-N-(2,3,3-trimethylbutan-2-yl)acetamide
CID 58297303
N-cyclopropyl-2-(oxolan-3-yl)-N-propylacetamide
CID 58375996
N-ethyl-N-methyl-2-(oxan-4-yl)propanamide
CID 58376126
N-cyclopropyl-2-(4-propan-2-yloxolan-3-yl)-N-propylacetamide
CID 58376633
1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 66580886
1-[(3S)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 68267635

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 176724619) is 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCN(C(=O)C[C@@H]2CCOC2)C1.
What is the InChIKey of 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is GTLNTMYWANBRRK-PXYINDEMSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)12-3-5-14(8-12)13(15)7-11-4-6-16-9-11/h10-12H,3-9H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 225.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 176724619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).