1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone

C9H13NO2 — CID 84614753

IUPAC1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone
SMILESCOCn1ccc(C(C)=O)c1C
InChIInChI=1S/C9H13NO2/c1-7-9(8(2)11)4-5-10(7)6-12-3/h4-5H,6H2,1-3H3
InChIKeyKXKNOPRDNLIHSB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.60
Rot. Bonds3

About 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone

1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone (PubChem CID 84614753) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone
PubChem CID84614753
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone
SMILESCOCn1ccc(C(C)=O)c1C
InChIInChI=1S/C9H13NO2/c1-7-9(8(2)11)4-5-10(7)6-12-3/h4-5H,6H2,1-3H3
InChIKeyKXKNOPRDNLIHSB-UHFFFAOYSA-N
XLogP1.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydroxypropyl)-2-methylpyrrol-3-yl]ethanone
CID 84616703
4-[(3-acetyl-2-methylpyrrol-1-yl)methyl]benzonitrile
CID 84616706
2-cyclopropyl-1-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84755952
1-(methoxymethyl)-2-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 84755889
1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
CID 84616702
1-(2-methyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 84614748
1-[2-(3-methoxypropylamino)-2-oxoethyl]-2-methylpyrrole-3-carboxylic acid
CID 114189448
[1-(methoxymethyl)pyrrol-2-yl]methanol
CID 66400554
1-(1-ethyl-2-methylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 14968212
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035
1-(methoxymethyl)-3-methylpyridin-2-one
CID 14787164
1-(methoxymethyl)-5-methylindole
CID 110831319

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone?
The IUPAC name of 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone (CID 84614753) is 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone?
The canonical SMILES for 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone is COCn1ccc(C(C)=O)c1C.
What is the InChIKey of 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone?
The InChIKey is KXKNOPRDNLIHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-9(8(2)11)4-5-10(7)6-12-3/h4-5H,6H2,1-3H3.
What are the key properties of 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone?
1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methoxymethyl)-2-methylpyrrol-3-yl]ethanone is sourced from PubChem (CID 84614753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).