3-imino-N-methoxypropanamide

C4H8N2O2 — CID 90877938

IUPAC3-imino-N-methoxypropanamide
SMILES[H]/N=C/CC(=O)NOC
InChIInChI=1S/C4H8N2O2/c1-8-6-4(7)2-3-5/h3,5H,2H2,1H3,(H,6,7)/b5-3+
InChIKeyYOUASTYHINAAHX-HWKANZROSA-N
MW116.12 g/mol
LogP-0.30
Rot. Bonds3

About 3-imino-N-methoxypropanamide

3-imino-N-methoxypropanamide (PubChem CID 90877938) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-imino-N-methoxypropanamide.

Molecular Properties

Compound Name3-imino-N-methoxypropanamide
PubChem CID90877938
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-imino-N-methoxypropanamide
SMILES[H]/N=C/CC(=O)NOC
InChIInChI=1S/C4H8N2O2/c1-8-6-4(7)2-3-5/h3,5H,2H2,1H3,(H,6,7)/b5-3+
InChIKeyYOUASTYHINAAHX-HWKANZROSA-N
XLogP-0.30
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-imino-N-methoxypropanamide 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

methyl 3,5-diimino-2-methylpentanoate
CID 123310601
4-iminobutan-2-one
CID 20812331
N-methoxy-4-oxobutanamide
CID 126994320
N,3-dimethoxy-3-methylbutanamide
CID 103021007
5-(methoxyamino)-5-oxopentanoic acid
CID 64974146
4-iodo-N-methoxybutanamide
CID 141466825
[2-methanimidoyl-3-(methoxyamino)-3-oxoprop-1-enyl]-methylazanium
CID 163801033
3-hydroxypropyl 3-iminopropanoate
CID 89336523
N-methoxy-5-oxopentanamide
CID 91086399
4-(methoxyamino)-4-oxobutanoic acid
CID 64974135
6-chloro-N-methoxyhexanamide
CID 90073847
bis(2-iminoethyl) butanedioate
CID 174310749

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methoxypropanamide?
The IUPAC name of 3-imino-N-methoxypropanamide (CID 90877938) is 3-imino-N-methoxypropanamide.
What is the SMILES notation for 3-imino-N-methoxypropanamide?
The canonical SMILES for 3-imino-N-methoxypropanamide is [H]/N=C/CC(=O)NOC.
What is the InChIKey of 3-imino-N-methoxypropanamide?
The InChIKey is YOUASTYHINAAHX-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-8-6-4(7)2-3-5/h3,5H,2H2,1H3,(H,6,7)/b5-3+.
What are the key properties of 3-imino-N-methoxypropanamide?
3-imino-N-methoxypropanamide has a molecular weight of 116.12 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methoxypropanamide is sourced from PubChem (CID 90877938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).