N'-(2,5-dioxopyrrol-1-yl)butanediamide

C8H9N3O4 — CID 172722233

IUPACN'-(2,5-dioxopyrrol-1-yl)butanediamide
SMILESNC(=O)CCC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C8H9N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4H,1-2H2,(H2,9,12)(H,10,13)
InChIKeyGRCLCDALSGPKKB-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.79
Rot. Bonds4

About N'-(2,5-dioxopyrrol-1-yl)butanediamide

N'-(2,5-dioxopyrrol-1-yl)butanediamide (PubChem CID 172722233) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N'-(2,5-dioxopyrrol-1-yl)butanediamide.

Molecular Properties

Compound NameN'-(2,5-dioxopyrrol-1-yl)butanediamide
PubChem CID172722233
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN'-(2,5-dioxopyrrol-1-yl)butanediamide
SMILESNC(=O)CCC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C8H9N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4H,1-2H2,(H2,9,12)(H,10,13)
InChIKeyGRCLCDALSGPKKB-UHFFFAOYSA-N
XLogP-1.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.79
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 N'-(2,5-dioxopyrrol-1-yl)butanediamide?
The IUPAC name of N'-(2,5-dioxopyrrol-1-yl)butanediamide (CID 172722233) is N'-(2,5-dioxopyrrol-1-yl)butanediamide.
What is the SMILES notation for N'-(2,5-dioxopyrrol-1-yl)butanediamide?
The canonical SMILES for N'-(2,5-dioxopyrrol-1-yl)butanediamide is NC(=O)CCC(=O)NN1C(=O)C=CC1=O.
What is the InChIKey of N'-(2,5-dioxopyrrol-1-yl)butanediamide?
The InChIKey is GRCLCDALSGPKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-5(12)1-2-6(13)10-11-7(14)3-4-8(11)15/h3-4H,1-2H2,(H2,9,12)(H,10,13).
What are the key properties of N'-(2,5-dioxopyrrol-1-yl)butanediamide?
N'-(2,5-dioxopyrrol-1-yl)butanediamide has a molecular weight of 211.18 g/mol, XLogP of -1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dioxopyrrol-1-yl)butanediamide is sourced from PubChem (CID 172722233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).