N-(azidomethyl)acetamide

C3H6N4O — CID 58445939

IUPACN-(azidomethyl)acetamide
SMILESCC(=O)NCN=[N+]=[N-]
InChIInChI=1S/C3H6N4O/c1-3(8)5-2-6-7-4/h2H2,1H3,(H,5,8)
InChIKeyNSOTYTGNUDYMEO-UHFFFAOYSA-N
MW114.11 g/mol
LogP0.39
Rot. Bonds2

About N-(azidomethyl)acetamide

N-(azidomethyl)acetamide (PubChem CID 58445939) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is N-(azidomethyl)acetamide.

Molecular Properties

Compound NameN-(azidomethyl)acetamide
PubChem CID58445939
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC NameN-(azidomethyl)acetamide
SMILESCC(=O)NCN=[N+]=[N-]
InChIInChI=1S/C3H6N4O/c1-3(8)5-2-6-7-4/h2H2,1H3,(H,5,8)
InChIKeyNSOTYTGNUDYMEO-UHFFFAOYSA-N
XLogP0.39
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(azidomethyl)acetamide 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 N-(azidomethyl)acetamide?
The IUPAC name of N-(azidomethyl)acetamide (CID 58445939) is N-(azidomethyl)acetamide.
What is the SMILES notation for N-(azidomethyl)acetamide?
The canonical SMILES for N-(azidomethyl)acetamide is CC(=O)NCN=[N+]=[N-].
What is the InChIKey of N-(azidomethyl)acetamide?
The InChIKey is NSOTYTGNUDYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O/c1-3(8)5-2-6-7-4/h2H2,1H3,(H,5,8).
What are the key properties of N-(azidomethyl)acetamide?
N-(azidomethyl)acetamide has a molecular weight of 114.11 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azidomethyl)acetamide is sourced from PubChem (CID 58445939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).