2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone

C10H19NO3 — CID 103709661

IUPAC2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCOCCOCC(=O)N1CCCC1C
InChIInChI=1S/C10H19NO3/c1-9-4-3-5-11(9)10(12)8-14-7-6-13-2/h9H,3-8H2,1-2H3
InChIKeyDFROCIBEASITBX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone

2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone (PubChem CID 103709661) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
PubChem CID103709661
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
SMILESCOCCOCC(=O)N1CCCC1C
InChIInChI=1S/C10H19NO3/c1-9-4-3-5-11(9)10(12)8-14-7-6-13-2/h9H,3-8H2,1-2H3
InChIKeyDFROCIBEASITBX-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone;hydrochloride
CID 119633758
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone (CID 103709661) is 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone is COCCOCC(=O)N1CCCC1C.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone?
The InChIKey is DFROCIBEASITBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9-4-3-5-11(9)10(12)8-14-7-6-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone?
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone has a molecular weight of 201.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103709661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).