5-(2,5-dioxopyrrol-1-yl)pentanoate

C9H10NO4- — CID 86309590

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C([O-])CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)/p-1
InChIKeyACVAAFHNDGTZLL-UHFFFAOYSA-M
MW196.18 g/mol
LogP-1.17
Rot. Bonds5

About 5-(2,5-dioxopyrrol-1-yl)pentanoate

5-(2,5-dioxopyrrol-1-yl)pentanoate (PubChem CID 86309590) has the molecular formula C9H10NO4- and a molecular weight of 196.18 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanoate.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanoate
PubChem CID86309590
Molecular FormulaC9H10NO4-
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanoate
SMILESO=C([O-])CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)/p-1
InChIKeyACVAAFHNDGTZLL-UHFFFAOYSA-M
XLogP-1.17
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Maleimidohexanoic acid
CID 573683
5-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoic acid
CID 23273872
Fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 175311182
2,5-dioxopyrrolidin-1-yl 5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentanoate
CID 10040074
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11195463
6-(2,5-Dioxopyrrol-1-yl)hexaneperoxoic acid
CID 14716645
6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate
CID 22184315
7-(2,5-Dioxopyrrol-1-yl)heptanoate
CID 36688217
5-(3-Methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
CID 57212338
5-(2,5-Dioxopyrrol-1-yl)-4-oxopentanoic acid
CID 67387296
(2-Oxopyrrolidin-1-yl) 5-(2,5-dioxopyrrol-1-yl)pentanoate
CID 89936873
5-(3-Bromo-2,5-dioxopyrrol-1-yl)pentanoic acid
CID 89937174

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanoate (CID 86309590) is 5-(2,5-dioxopyrrol-1-yl)pentanoate.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanoate is O=C([O-])CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanoate?
The InChIKey is ACVAAFHNDGTZLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11NO4/c11-7-4-5-8(12)10(7)6-2-1-3-9(13)14/h4-5H,1-3,6H2,(H,13,14)/p-1.
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanoate?
5-(2,5-dioxopyrrol-1-yl)pentanoate has a molecular weight of 196.18 g/mol, XLogP of -1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanoate is sourced from PubChem (CID 86309590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).