1-(2-methoxypyrrolidin-1-yl)ethanone

C7H13NO2 — CID 12711205

IUPAC1-(2-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCCN1C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)8-5-3-4-7(8)10-2/h7H,3-5H2,1-2H3
InChIKeyLCLGGVBMHSGFAS-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds1

About 1-(2-methoxypyrrolidin-1-yl)ethanone

1-(2-methoxypyrrolidin-1-yl)ethanone (PubChem CID 12711205) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(2-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxypyrrolidin-1-yl)ethanone
PubChem CID12711205
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(2-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCCN1C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(9)8-5-3-4-7(8)10-2/h7H,3-5H2,1-2H3
InChIKeyLCLGGVBMHSGFAS-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-methoxypyrrolidin-1-yl)ethanone (CID 12711205) is 1-(2-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxypyrrolidin-1-yl)ethanone is COC1CCCN1C(C)=O.
What is the InChIKey of 1-(2-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is LCLGGVBMHSGFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)8-5-3-4-7(8)10-2/h7H,3-5H2,1-2H3.
What are the key properties of 1-(2-methoxypyrrolidin-1-yl)ethanone?
1-(2-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 143.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 12711205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).