N-hydroperoxy-4-oxobutanamide

C4H7NO4 — CID 90201335

IUPACN-hydroperoxy-4-oxobutanamide
SMILESO=CCCC(=O)NOO
InChIInChI=1S/C4H7NO4/c6-3-1-2-4(7)5-9-8/h3,8H,1-2H2,(H,5,7)
InChIKeyLGCCUMKSNWPJCH-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.51
Rot. Bonds4

About N-hydroperoxy-4-oxobutanamide

N-hydroperoxy-4-oxobutanamide (PubChem CID 90201335) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is N-hydroperoxy-4-oxobutanamide.

Molecular Properties

Compound NameN-hydroperoxy-4-oxobutanamide
PubChem CID90201335
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC NameN-hydroperoxy-4-oxobutanamide
SMILESO=CCCC(=O)NOO
InChIInChI=1S/C4H7NO4/c6-3-1-2-4(7)5-9-8/h3,8H,1-2H2,(H,5,7)
InChIKeyLGCCUMKSNWPJCH-UHFFFAOYSA-N
XLogP-0.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroperoxy-4-oxobutanamide?
The IUPAC name of N-hydroperoxy-4-oxobutanamide (CID 90201335) is N-hydroperoxy-4-oxobutanamide.
What is the SMILES notation for N-hydroperoxy-4-oxobutanamide?
The canonical SMILES for N-hydroperoxy-4-oxobutanamide is O=CCCC(=O)NOO.
What is the InChIKey of N-hydroperoxy-4-oxobutanamide?
The InChIKey is LGCCUMKSNWPJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3-1-2-4(7)5-9-8/h3,8H,1-2H2,(H,5,7).
What are the key properties of N-hydroperoxy-4-oxobutanamide?
N-hydroperoxy-4-oxobutanamide has a molecular weight of 133.10 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroperoxy-4-oxobutanamide is sourced from PubChem (CID 90201335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).