1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

C12H21NO2 — CID 66580886

IUPAC1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESC[C@@H]1CCN(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C12H21NO2/c1-10-2-5-13(9-10)12(14)8-11-3-6-15-7-4-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyJUQUSUSFEHMGGR-SNVBAGLBSA-N
MW211.30 g/mol
LogP1.67
Rot. Bonds2

About 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone

1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 66580886) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID66580886
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESC[C@@H]1CCN(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C12H21NO2/c1-10-2-5-13(9-10)12(14)8-11-3-6-15-7-4-11/h10-11H,2-9H2,1H3/t10-/m1/s1
InChIKeyJUQUSUSFEHMGGR-SNVBAGLBSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone (CID 66580886) is 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is C[C@@H]1CCN(C(=O)CC2CCOCC2)C1.
What is the InChIKey of 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is JUQUSUSFEHMGGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-2-5-13(9-10)12(14)8-11-3-6-15-7-4-11/h10-11H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 211.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 66580886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).