2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one

C13H23NO2 — CID 107135922

IUPAC2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CCCOC1)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,14-7-3-4-8-14)12(15)11-6-5-9-16-10-11/h11H,3-10H2,1-2H3
InChIKeyOIJJEOFMAWPCST-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one

2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 107135922) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID107135922
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1CCCOC1)N1CCCC1
InChIInChI=1S/C13H23NO2/c1-13(2,14-7-3-4-8-14)12(15)11-6-5-9-16-10-11/h11H,3-10H2,1-2H3
InChIKeyOIJJEOFMAWPCST-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
2-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056188
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596
2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056853
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136019
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one (CID 107135922) is 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)C1CCCOC1)N1CCCC1.
What is the InChIKey of 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OIJJEOFMAWPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,14-7-3-4-8-14)12(15)11-6-5-9-16-10-11/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 107135922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).