1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one

C14H25NO2 — CID 90244639

IUPAC1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one
SMILESCC(C(=O)N1C(C)CC[C@H]1C)C1CCCOC1
InChIInChI=1S/C14H25NO2/c1-10-6-7-11(2)15(10)14(16)12(3)13-5-4-8-17-9-13/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13?/m1/s1
InChIKeyJOEKTFGFWUPZDX-PEWWYSNMSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds2

About 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one

1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one (PubChem CID 90244639) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one
PubChem CID90244639
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one
SMILESCC(C(=O)N1C(C)CC[C@H]1C)C1CCCOC1
InChIInChI=1S/C14H25NO2/c1-10-6-7-11(2)15(10)14(16)12(3)13-5-4-8-17-9-13/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13?/m1/s1
InChIKeyJOEKTFGFWUPZDX-PEWWYSNMSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-N-[(oxan-4-YL)methyl]cyclopentanecarboxamide
CID 110752398
[(3R)-3-fluoro-4-propan-2-ylpyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 139364697
N,N-diethyl-2,2-dimethyloxane-4-carboxamide
CID 12296417
N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
CID 58033925
N-cyclopropyl-2-(4-propan-2-yloxolan-3-yl)-N-propylacetamide
CID 58376633
(4S)-4-(4-ethoxy-2-methylbutyl)-1-propan-2-ylpyrrolidin-2-one
CID 59098287
1-[(2S)-4-(methoxymethyl)-2-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one
CID 89630747
1-[(2S)-4-(methoxymethyl)-2-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-propan-2-ylbutan-1-one
CID 89630772
3-methyl-1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-(oxan-4-yl)butan-1-one
CID 89630776
1-[(2S)-4-(methoxymethyl)-2-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-(oxan-4-yl)butan-1-one
CID 89630795
3-methyl-1-[(5S)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]-2-(oxan-4-yl)butan-1-one
CID 89630809
1-[(5S)-3-(methoxymethyl)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]-3-methyl-2-(oxan-4-yl)butan-1-one
CID 89630889

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one (CID 90244639) is 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one is CC(C(=O)N1C(C)CC[C@H]1C)C1CCCOC1.
What is the InChIKey of 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one?
The InChIKey is JOEKTFGFWUPZDX-PEWWYSNMSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-6-7-11(2)15(10)14(16)12(3)13-5-4-8-17-9-13/h10-13H,4-9H2,1-3H3/t10-,11?,12?,13?/m1/s1.
What are the key properties of 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one?
1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2,5-dimethylpyrrolidin-1-yl]-2-(oxan-3-yl)propan-1-one is sourced from PubChem (CID 90244639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).