2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C10H15NO2 — CID 43799554

IUPAC2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C10H15NO2/c1-7-5-9(8(2)11(7)3)10(12)6-13-4/h5H,6H2,1-4H3
InChIKeyDKSFMZIJSWMQQF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.47
Rot. Bonds3

About 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 43799554) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID43799554
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C10H15NO2/c1-7-5-9(8(2)11(7)3)10(12)6-13-4/h5H,6H2,1-4H3
InChIKeyDKSFMZIJSWMQQF-UHFFFAOYSA-N
XLogP1.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 103403801
2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623947
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102722501
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846678
2-(2,3-dimethoxyphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110656095
2-[4-(hydroxymethyl)phenoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623742
2-(oxan-4-yloxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61288603
4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzaldehyde
CID 60625346
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenyl)acetate
CID 7599857
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913200
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
2-(5-fluoro-2-methylphenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 102975495

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 43799554) is 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is COCC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is DKSFMZIJSWMQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-9(8(2)11(7)3)10(12)6-13-4/h5H,6H2,1-4H3.
What are the key properties of 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 43799554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).