2-formylimino-N-hydroxypropanamide

C4H6N2O3 — CID 20651858

IUPAC2-formylimino-N-hydroxypropanamide
SMILESC/C(=N\C=O)C(=O)NO
InChIInChI=1S/C4H6N2O3/c1-3(5-2-7)4(8)6-9/h2,9H,1H3,(H,6,8)/b5-3+
InChIKeyCQYDDPNXOCOJBY-HWKANZROSA-N
MW130.10 g/mol
LogP-0.89
Rot. Bonds2

About 2-formylimino-N-hydroxypropanamide

2-formylimino-N-hydroxypropanamide (PubChem CID 20651858) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-formylimino-N-hydroxypropanamide.

Molecular Properties

Compound Name2-formylimino-N-hydroxypropanamide
PubChem CID20651858
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name2-formylimino-N-hydroxypropanamide
SMILESC/C(=N\C=O)C(=O)NO
InChIInChI=1S/C4H6N2O3/c1-3(5-2-7)4(8)6-9/h2,9H,1H3,(H,6,8)/b5-3+
InChIKeyCQYDDPNXOCOJBY-HWKANZROSA-N
XLogP-0.89
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-formylimino-N-hydroxypropanamide 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 2-formylimino-N-hydroxypropanamide?
The IUPAC name of 2-formylimino-N-hydroxypropanamide (CID 20651858) is 2-formylimino-N-hydroxypropanamide.
What is the SMILES notation for 2-formylimino-N-hydroxypropanamide?
The canonical SMILES for 2-formylimino-N-hydroxypropanamide is C/C(=N\C=O)C(=O)NO.
What is the InChIKey of 2-formylimino-N-hydroxypropanamide?
The InChIKey is CQYDDPNXOCOJBY-HWKANZROSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-3(5-2-7)4(8)6-9/h2,9H,1H3,(H,6,8)/b5-3+.
What are the key properties of 2-formylimino-N-hydroxypropanamide?
2-formylimino-N-hydroxypropanamide has a molecular weight of 130.10 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formylimino-N-hydroxypropanamide is sourced from PubChem (CID 20651858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).