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

C10H13NO4 — CID 57065586

IUPAC4-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-2-7(3-6-10(14)15)11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyWONXUMPKFQAEMG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.55
Rot. Bonds5

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

4-(2,5-dioxopyrrol-1-yl)hexanoic acid (PubChem CID 57065586) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)hexanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)hexanoic acid
PubChem CID57065586
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-2-7(3-6-10(14)15)11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyWONXUMPKFQAEMG-UHFFFAOYSA-N
XLogP0.55
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)hexanoic acid (CID 57065586) is 4-(2,5-dioxopyrrol-1-yl)hexanoic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)hexanoic acid is CCC(CCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)hexanoic acid?
The InChIKey is WONXUMPKFQAEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-2-7(3-6-10(14)15)11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)hexanoic acid?
4-(2,5-dioxopyrrol-1-yl)hexanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)hexanoic acid is sourced from PubChem (CID 57065586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).