N-(1-aminoethylidene)acetamide

C4H8N2O — CID 18722856

IUPACN-(1-aminoethylidene)acetamide
SMILESCC(=O)/N=C(\C)N
InChIInChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7)
InChIKeyVFQUGUQMEDNBER-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.09
Rot. Bonds

About N-(1-aminoethylidene)acetamide

N-(1-aminoethylidene)acetamide (PubChem CID 18722856) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(1-aminoethylidene)acetamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)acetamide
PubChem CID18722856
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(1-aminoethylidene)acetamide
SMILESCC(=O)/N=C(\C)N
InChIInChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7)
InChIKeyVFQUGUQMEDNBER-UHFFFAOYSA-N
XLogP-0.09
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(1-aminoethylidene)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-(1-aminoethylidene)acetamide?
The IUPAC name of N-(1-aminoethylidene)acetamide (CID 18722856) is N-(1-aminoethylidene)acetamide.
What is the SMILES notation for N-(1-aminoethylidene)acetamide?
The canonical SMILES for N-(1-aminoethylidene)acetamide is CC(=O)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)acetamide?
The InChIKey is VFQUGUQMEDNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)6-4(2)7/h1-2H3,(H2,5,6,7).
What are the key properties of N-(1-aminoethylidene)acetamide?
N-(1-aminoethylidene)acetamide has a molecular weight of 100.12 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)acetamide is sourced from PubChem (CID 18722856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).