3-imino-N-methyl-2-oxopropanamide

C4H6N2O2 — CID 142182500

IUPAC3-imino-N-methyl-2-oxopropanamide
SMILES[H]/N=C/C(=O)C(=O)NC
InChIInChI=1S/C4H6N2O2/c1-6-4(8)3(7)2-5/h2,5H,1H3,(H,6,8)/b5-2+
InChIKeyCAKGXRLXADQNOO-GORDUTHDSA-N
MW114.10 g/mol
LogP-1.05
Rot. Bonds2

About 3-imino-N-methyl-2-oxopropanamide

3-imino-N-methyl-2-oxopropanamide (PubChem CID 142182500) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 3-imino-N-methyl-2-oxopropanamide.

Molecular Properties

Compound Name3-imino-N-methyl-2-oxopropanamide
PubChem CID142182500
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name3-imino-N-methyl-2-oxopropanamide
SMILES[H]/N=C/C(=O)C(=O)NC
InChIInChI=1S/C4H6N2O2/c1-6-4(8)3(7)2-5/h2,5H,1H3,(H,6,8)/b5-2+
InChIKeyCAKGXRLXADQNOO-GORDUTHDSA-N
XLogP-1.05
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-imino-N-methyl-2-oxopropanamide 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

(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium
CID 59073252
1-Imino-3-(methylamino)propan-2-one
CID 90787262
N-(3-imino-2-oxopropyl)acetamide
CID 141891338
3-diazo-N-methanidyl-2-oxopropanamide;yttrium
CID 159562408
4-imino-N-methyl-2-oxobutanamide
CID 163947894
Acetamide, N-(3-diazo-2-oxopropyl)-
CID 4401315
3-diazo-N-methyl-2-oxopropanamide
CID 59073253
3-diazo-N-ethyl-2-oxopropanamide
CID 135457364

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methyl-2-oxopropanamide?
The IUPAC name of 3-imino-N-methyl-2-oxopropanamide (CID 142182500) is 3-imino-N-methyl-2-oxopropanamide.
What is the SMILES notation for 3-imino-N-methyl-2-oxopropanamide?
The canonical SMILES for 3-imino-N-methyl-2-oxopropanamide is [H]/N=C/C(=O)C(=O)NC.
What is the InChIKey of 3-imino-N-methyl-2-oxopropanamide?
The InChIKey is CAKGXRLXADQNOO-GORDUTHDSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-6-4(8)3(7)2-5/h2,5H,1H3,(H,6,8)/b5-2+.
What are the key properties of 3-imino-N-methyl-2-oxopropanamide?
3-imino-N-methyl-2-oxopropanamide has a molecular weight of 114.10 g/mol, XLogP of -1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methyl-2-oxopropanamide is sourced from PubChem (CID 142182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).