3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one

C6H7NO4 — CID 135604517

IUPAC3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one
SMILESC/C(=N\O)C1=C(O)COC1=O
InChIInChI=1S/C6H7NO4/c1-3(7-10)5-4(8)2-11-6(5)9/h8,10H,2H2,1H3/b7-3+
InChIKeyASGHBIFMZMNZNQ-XVNBXDOJSA-N
MW157.12 g/mol
LogP0.21
Rot. Bonds1

About 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one

3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one (PubChem CID 135604517) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one
PubChem CID135604517
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one
SMILESC/C(=N\O)C1=C(O)COC1=O
InChIInChI=1S/C6H7NO4/c1-3(7-10)5-4(8)2-11-6(5)9/h8,10H,2H2,1H3/b7-3+
InChIKeyASGHBIFMZMNZNQ-XVNBXDOJSA-N
XLogP0.21
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one?
The IUPAC name of 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one (CID 135604517) is 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one.
What is the SMILES notation for 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one?
The canonical SMILES for 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one is C/C(=N\O)C1=C(O)COC1=O.
What is the InChIKey of 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one?
The InChIKey is ASGHBIFMZMNZNQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H7NO4/c1-3(7-10)5-4(8)2-11-6(5)9/h8,10H,2H2,1H3/b7-3+.
What are the key properties of 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one?
3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one has a molecular weight of 157.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2H-furan-5-one is sourced from PubChem (CID 135604517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).