1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone

C10H15NO5 — CID 90994352

IUPAC1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone
SMILESCCOCCOCC(=O)n1c(O)ccc1O
InChIInChI=1S/C10H15NO5/c1-2-15-5-6-16-7-10(14)11-8(12)3-4-9(11)13/h3-4,12-13H,2,5-7H2,1H3
InChIKeyWVNQRHHXOAOQHG-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.59
Rot. Bonds6

About 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone

1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone (PubChem CID 90994352) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone
PubChem CID90994352
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone
SMILESCCOCCOCC(=O)n1c(O)ccc1O
InChIInChI=1S/C10H15NO5/c1-2-15-5-6-16-7-10(14)11-8(12)3-4-9(11)13/h3-4,12-13H,2,5-7H2,1H3
InChIKeyWVNQRHHXOAOQHG-UHFFFAOYSA-N
XLogP0.59
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone?
The IUPAC name of 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone (CID 90994352) is 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone?
The canonical SMILES for 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone is CCOCCOCC(=O)n1c(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone?
The InChIKey is WVNQRHHXOAOQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-2-15-5-6-16-7-10(14)11-8(12)3-4-9(11)13/h3-4,12-13H,2,5-7H2,1H3.
What are the key properties of 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone?
1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone has a molecular weight of 229.23 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxypyrrol-1-yl)-2-(2-ethoxyethoxy)ethanone is sourced from PubChem (CID 90994352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).