1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone

C8H15NO2 — CID 176999093

IUPAC1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
SMILESCOC1CCN(C)C1C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)8-7(11-3)4-5-9(8)2/h7-8H,4-5H2,1-3H3
InChIKeyJZQVGZWEJNMZGU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.29
Rot. Bonds2

About 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone

1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone (PubChem CID 176999093) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
PubChem CID176999093
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
SMILESCOC1CCN(C)C1C(C)=O
InChIInChI=1S/C8H15NO2/c1-6(10)8-7(11-3)4-5-9(8)2/h7-8H,4-5H2,1-3H3
InChIKeyJZQVGZWEJNMZGU-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone (CID 176999093) is 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone is COC1CCN(C)C1C(C)=O.
What is the InChIKey of 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is JZQVGZWEJNMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)8-7(11-3)4-5-9(8)2/h7-8H,4-5H2,1-3H3.
What are the key properties of 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone?
1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 176999093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).