N,2-diformyl-3-hydroxyprop-2-enamide

C5H5NO4 — CID 71361575

IUPACN,2-diformyl-3-hydroxyprop-2-enamide
SMILESO=CNC(=O)C(C=O)=CO
InChIInChI=1S/C5H5NO4/c7-1-4(2-8)5(10)6-3-9/h1-3,7H,(H,6,9,10)
InChIKeyUEHLIFLHWIOJPH-UHFFFAOYSA-N
MW143.10 g/mol
LogP-1.10
Rot. Bonds3

About N,2-diformyl-3-hydroxyprop-2-enamide

N,2-diformyl-3-hydroxyprop-2-enamide (PubChem CID 71361575) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is N,2-diformyl-3-hydroxyprop-2-enamide.

Molecular Properties

Compound NameN,2-diformyl-3-hydroxyprop-2-enamide
PubChem CID71361575
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC NameN,2-diformyl-3-hydroxyprop-2-enamide
SMILESO=CNC(=O)C(C=O)=CO
InChIInChI=1S/C5H5NO4/c7-1-4(2-8)5(10)6-3-9/h1-3,7H,(H,6,9,10)
InChIKeyUEHLIFLHWIOJPH-UHFFFAOYSA-N
XLogP-1.10
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-diformyl-3-hydroxyprop-2-enamide?
The IUPAC name of N,2-diformyl-3-hydroxyprop-2-enamide (CID 71361575) is N,2-diformyl-3-hydroxyprop-2-enamide.
What is the SMILES notation for N,2-diformyl-3-hydroxyprop-2-enamide?
The canonical SMILES for N,2-diformyl-3-hydroxyprop-2-enamide is O=CNC(=O)C(C=O)=CO.
What is the InChIKey of N,2-diformyl-3-hydroxyprop-2-enamide?
The InChIKey is UEHLIFLHWIOJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c7-1-4(2-8)5(10)6-3-9/h1-3,7H,(H,6,9,10).
What are the key properties of N,2-diformyl-3-hydroxyprop-2-enamide?
N,2-diformyl-3-hydroxyprop-2-enamide has a molecular weight of 143.10 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diformyl-3-hydroxyprop-2-enamide is sourced from PubChem (CID 71361575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).