5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid

C9H9NO5 — CID 67387296

IUPAC5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H9NO5/c11-6(1-4-9(14)15)5-10-7(12)2-3-8(10)13/h2-3H,1,4-5H2,(H,14,15)
InChIKeyPKBDPKMZYOXRBE-UHFFFAOYSA-N
MW211.17 g/mol
LogP-0.65
Rot. Bonds5

About 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid

5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid (PubChem CID 67387296) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid
PubChem CID67387296
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid
SMILESO=C(O)CCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H9NO5/c11-6(1-4-9(14)15)5-10-7(12)2-3-8(10)13/h2-3H,1,4-5H2,(H,14,15)
InChIKeyPKBDPKMZYOXRBE-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid (CID 67387296) is 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid is O=C(O)CCC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid?
The InChIKey is PKBDPKMZYOXRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c11-6(1-4-9(14)15)5-10-7(12)2-3-8(10)13/h2-3H,1,4-5H2,(H,14,15).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid?
5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid has a molecular weight of 211.17 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-4-oxopentanoic acid is sourced from PubChem (CID 67387296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).