1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone

C10H19NO2 — CID 20810077

IUPAC1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
SMILESCOCC1(C)CC(C(C)=O)CN1C
InChIInChI=1S/C10H19NO2/c1-8(12)9-5-10(2,7-13-4)11(3)6-9/h9H,5-7H2,1-4H3
InChIKeyPVGXLGFPFQTMSH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone

1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone (PubChem CID 20810077) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
PubChem CID20810077
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
SMILESCOCC1(C)CC(C(C)=O)CN1C
InChIInChI=1S/C10H19NO2/c1-8(12)9-5-10(2,7-13-4)11(3)6-9/h9H,5-7H2,1-4H3
InChIKeyPVGXLGFPFQTMSH-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,5S)-5-(methoxymethyl)-5-methylpyrrolidin-3-yl]ethanone
CID 59074637
1-[(2S,4S)-4-acetyl-2-(methoxymethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 59074640
1-[(3S,5S)-5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone
CID 59074642
1-[(3S,5S)-5-(methoxymethyl)-1-methylpyrrolidin-3-yl]ethanone
CID 59882221
1-[1-(2-Methoxyethyl)pyrrolidin-3-yl]-2-methylpropan-1-one
CID 90295851
1-[5-(Hydroxymethyl)-1-methylpyrrolidin-3-yl]ethanone
CID 172360430
1-[4-Acetyl-2-(methoxymethyl)-2-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 20810073
1-[5-(Methoxymethyl)-5-methylpyrrolidin-3-yl]ethanone
CID 20810078
1-[5-(Methoxymethyl)-1-methylpyrrolidin-3-yl]ethanone
CID 21301382
4-(7-Oxa-1-azaspiro[4.4]nonan-1-yl)butan-2-one
CID 130625944
7-[(2S,4R)-2-(methoxymethyl)-4-methylpyrrolidin-1-yl]heptan-2-one
CID 172252360

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone (CID 20810077) is 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone is COCC1(C)CC(C(C)=O)CN1C.
What is the InChIKey of 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone?
The InChIKey is PVGXLGFPFQTMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(12)9-5-10(2,7-13-4)11(3)6-9/h9H,5-7H2,1-4H3.
What are the key properties of 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone?
1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1,5-dimethylpyrrolidin-3-yl]ethanone is sourced from PubChem (CID 20810077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).