2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H25NO4 — CID 103403801

IUPAC2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOCCOCCCOCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C15H25NO4/c1-12-10-14(13(2)16(12)3)15(17)11-20-7-5-6-19-9-8-18-4/h10H,5-9,11H2,1-4H3
InChIKeyQARAFHOFVACDDL-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.89
Rot. Bonds10

About 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 103403801) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID103403801
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCOCCOCCCOCC(=O)c1cc(C)n(C)c1C
InChIInChI=1S/C15H25NO4/c1-12-10-14(13(2)16(12)3)15(17)11-20-7-5-6-19-9-8-18-4/h10H,5-9,11H2,1-4H3
InChIKeyQARAFHOFVACDDL-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
1-(2,4-dichlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178840
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-(oxan-4-yloxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61288603
[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-(methoxymethyl)piperidin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63972915
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8672678
2-[4-(hydroxymethyl)phenoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623742
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 103403801) is 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is COCCOCCCOCC(=O)c1cc(C)n(C)c1C.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is QARAFHOFVACDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12-10-14(13(2)16(12)3)15(17)11-20-7-5-6-19-9-8-18-4/h10H,5-9,11H2,1-4H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 1.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 103403801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).