1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone

C15H27NO3 — CID 99837139

IUPAC1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
SMILESCCC[C@]1(COC)CCCN1C(=O)C[C@@H]1CCCO1
InChIInChI=1S/C15H27NO3/c1-3-7-15(12-18-2)8-5-9-16(15)14(17)11-13-6-4-10-19-13/h13H,3-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyDKQKXFKJFKNBGV-DZGCQCFKSA-N
MW269.38 g/mol
LogP2.36
Rot. Bonds6

About 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone

1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone (PubChem CID 99837139) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
PubChem CID99837139
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
SMILESCCC[C@]1(COC)CCCN1C(=O)C[C@@H]1CCCO1
InChIInChI=1S/C15H27NO3/c1-3-7-15(12-18-2)8-5-9-16(15)14(17)11-13-6-4-10-19-13/h13H,3-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyDKQKXFKJFKNBGV-DZGCQCFKSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone (CID 99837139) is 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone is CCC[C@]1(COC)CCCN1C(=O)C[C@@H]1CCCO1.
What is the InChIKey of 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone?
The InChIKey is DKQKXFKJFKNBGV-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-7-15(12-18-2)8-5-9-16(15)14(17)11-13-6-4-10-19-13/h13H,3-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone?
1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone has a molecular weight of 269.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methoxymethyl)-2-propylpyrrolidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone is sourced from PubChem (CID 99837139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).