5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal

C11H15NO4 — CID 54536027

IUPAC5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal
SMILESCCC(C=O)CC(=O)Cn1c(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-2-8(7-13)5-9(14)6-12-10(15)3-4-11(12)16/h3-4,7-8,15-16H,2,5-6H2,1H3
InChIKeyYZVLZMYFABSUOK-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds6

About 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal

5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal (PubChem CID 54536027) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal.

Molecular Properties

Compound Name5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal
PubChem CID54536027
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal
SMILESCCC(C=O)CC(=O)Cn1c(O)ccc1O
InChIInChI=1S/C11H15NO4/c1-2-8(7-13)5-9(14)6-12-10(15)3-4-11(12)16/h3-4,7-8,15-16H,2,5-6H2,1H3
InChIKeyYZVLZMYFABSUOK-UHFFFAOYSA-N
XLogP1.08
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal?
The IUPAC name of 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal (CID 54536027) is 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal.
What is the SMILES notation for 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal?
The canonical SMILES for 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal is CCC(C=O)CC(=O)Cn1c(O)ccc1O.
What is the InChIKey of 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal?
The InChIKey is YZVLZMYFABSUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-8(7-13)5-9(14)6-12-10(15)3-4-11(12)16/h3-4,7-8,15-16H,2,5-6H2,1H3.
What are the key properties of 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal?
5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal has a molecular weight of 225.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydroxypyrrol-1-yl)-2-ethyl-4-oxopentanal is sourced from PubChem (CID 54536027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).