3-amino-N-methylidenepropanamide

C4H8N2O — CID 154535645

IUPAC3-amino-N-methylidenepropanamide
SMILESC=NC(=O)CCN
InChIInChI=1S/C4H8N2O/c1-6-4(7)2-3-5/h1-3,5H2
InChIKeyMATFKGQCUWNDRE-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.44
Rot. Bonds2

About 3-amino-N-methylidenepropanamide

3-amino-N-methylidenepropanamide (PubChem CID 154535645) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-amino-N-methylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-methylidenepropanamide
PubChem CID154535645
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-amino-N-methylidenepropanamide
SMILESC=NC(=O)CCN
InChIInChI=1S/C4H8N2O/c1-6-4(7)2-3-5/h1-3,5H2
InChIKeyMATFKGQCUWNDRE-UHFFFAOYSA-N
XLogP-0.44
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-methylidenepropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-aminopropanoyl fluoride
CID 141326128
3-(15N)azanyl(113C)propanoic acid
CID 11366951
3-aminopropanoic acid;nitrous acid
CID 25232620
3-aminopropanoyl chloride
CID 11217318
CID 87057822
CID 87057822
3-amino-N-(tert-butyl-methyl-oxo-λ6-sulfanylidene)propanamide
CID 176746813
3-amino-1-(aziridin-1-yl)propan-1-one
CID 87106938
4-amino-2-methylidenebutanoate
CID 22186503
azanium 3-aminopropanoate
CID 156782733
4-aminobutan-2-one;zinc
CID 163742307
zinc bis(3-aminopropanoate)
CID 87686720
calcium bis(3-aminopropanoate)
CID 135001381

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylidenepropanamide?
The IUPAC name of 3-amino-N-methylidenepropanamide (CID 154535645) is 3-amino-N-methylidenepropanamide.
What is the SMILES notation for 3-amino-N-methylidenepropanamide?
The canonical SMILES for 3-amino-N-methylidenepropanamide is C=NC(=O)CCN.
What is the InChIKey of 3-amino-N-methylidenepropanamide?
The InChIKey is MATFKGQCUWNDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-4(7)2-3-5/h1-3,5H2.
What are the key properties of 3-amino-N-methylidenepropanamide?
3-amino-N-methylidenepropanamide has a molecular weight of 100.12 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylidenepropanamide is sourced from PubChem (CID 154535645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).