2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid

C10H11NO6 — CID 22403510

IUPAC2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
SMILESCC1=CC(=O)N(C(CCC(=O)O)C(=O)O)C1=O
InChIInChI=1S/C10H11NO6/c1-5-4-7(12)11(9(5)15)6(10(16)17)2-3-8(13)14/h4,6H,2-3H2,1H3,(H,13,14)(H,16,17)
InChIKeyLMZGHECZMHGXBC-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.38
Rot. Bonds5

About 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid

2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid (PubChem CID 22403510) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
PubChem CID22403510
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
SMILESCC1=CC(=O)N(C(CCC(=O)O)C(=O)O)C1=O
InChIInChI=1S/C10H11NO6/c1-5-4-7(12)11(9(5)15)6(10(16)17)2-3-8(13)14/h4,6H,2-3H2,1H3,(H,13,14)(H,16,17)
InChIKeyLMZGHECZMHGXBC-UHFFFAOYSA-N
XLogP-0.38
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
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 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid (CID 22403510) is 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid is CC1=CC(=O)N(C(CCC(=O)O)C(=O)O)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid?
The InChIKey is LMZGHECZMHGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c1-5-4-7(12)11(9(5)15)6(10(16)17)2-3-8(13)14/h4,6H,2-3H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid?
2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid has a molecular weight of 241.20 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid is sourced from PubChem (CID 22403510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).