N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide

C5H6N2O4 — CID 177028638

IUPACN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide
SMILESO=CNC1CC(=O)N(O)C1=O
InChIInChI=1S/C5H6N2O4/c8-2-6-3-1-4(9)7(11)5(3)10/h2-3,11H,1H2,(H,6,8)
InChIKeyFKPJBMNDSCPCNV-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.75
Rot. Bonds2

About N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide

N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide (PubChem CID 177028638) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide
PubChem CID177028638
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC NameN-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide
SMILESO=CNC1CC(=O)N(O)C1=O
InChIInChI=1S/C5H6N2O4/c8-2-6-3-1-4(9)7(11)5(3)10/h2-3,11H,1H2,(H,6,8)
InChIKeyFKPJBMNDSCPCNV-UHFFFAOYSA-N
XLogP-1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide?
The IUPAC name of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide (CID 177028638) is N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide.
What is the SMILES notation for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide?
The canonical SMILES for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide is O=CNC1CC(=O)N(O)C1=O.
What is the InChIKey of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide?
The InChIKey is FKPJBMNDSCPCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-2-6-3-1-4(9)7(11)5(3)10/h2-3,11H,1H2,(H,6,8).
What are the key properties of N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide?
N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide has a molecular weight of 158.11 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)formamide is sourced from PubChem (CID 177028638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).