1-(3-methoxypyrrolidin-1-yl)ethanone

C7H13NO2 — CID 19039602

IUPAC1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(C)=O)C1
InChIInChI=1S/C7H13NO2/c1-6(9)8-4-3-7(5-8)10-2/h7H,3-5H2,1-2H3
InChIKeyTYKLJDGWNUIIOJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About 1-(3-methoxypyrrolidin-1-yl)ethanone

1-(3-methoxypyrrolidin-1-yl)ethanone (PubChem CID 19039602) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxypyrrolidin-1-yl)ethanone
PubChem CID19039602
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(3-methoxypyrrolidin-1-yl)ethanone
SMILESCOC1CCN(C(C)=O)C1
InChIInChI=1S/C7H13NO2/c1-6(9)8-4-3-7(5-8)10-2/h7H,3-5H2,1-2H3
InChIKeyTYKLJDGWNUIIOJ-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
1-(3-methylsulfanyloxypyrrolidin-1-yl)ethanone
CID 130400151
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
1-[(3R)-3-ethoxypyrrolidin-1-yl]ethanone
CID 57091302
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3-methoxypyrrolidin-1-yl)ethanone (CID 19039602) is 1-(3-methoxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methoxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3-methoxypyrrolidin-1-yl)ethanone is COC1CCN(C(C)=O)C1.
What is the InChIKey of 1-(3-methoxypyrrolidin-1-yl)ethanone?
The InChIKey is TYKLJDGWNUIIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)8-4-3-7(5-8)10-2/h7H,3-5H2,1-2H3.
What are the key properties of 1-(3-methoxypyrrolidin-1-yl)ethanone?
1-(3-methoxypyrrolidin-1-yl)ethanone has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 19039602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).