6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal

C10H11NO4 — CID 160736279

IUPAC6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal
SMILESO=CCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO4/c12-7-1-2-8(13)5-6-11-9(14)3-4-10(11)15/h3-4,7H,1-2,5-6H2
InChIKeyRUZLEBCELDLRJO-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.15
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal

6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal (PubChem CID 160736279) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal
PubChem CID160736279
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal
SMILESO=CCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H11NO4/c12-7-1-2-8(13)5-6-11-9(14)3-4-10(11)15/h3-4,7H,1-2,5-6H2
InChIKeyRUZLEBCELDLRJO-UHFFFAOYSA-N
XLogP-0.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal (CID 160736279) is 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal is O=CCCC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal?
The InChIKey is RUZLEBCELDLRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-7-1-2-8(13)5-6-11-9(14)3-4-10(11)15/h3-4,7H,1-2,5-6H2.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal?
6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal has a molecular weight of 209.20 g/mol, XLogP of -0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-4-oxohexanal is sourced from PubChem (CID 160736279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).