4-imino-N-methyl-2-oxobutanamide

C5H8N2O2 — CID 163947894

IUPAC4-imino-N-methyl-2-oxobutanamide
SMILES[H]/N=C/CC(=O)C(=O)NC
InChIInChI=1S/C5H8N2O2/c1-7-5(9)4(8)2-3-6/h3,6H,2H2,1H3,(H,7,9)/b6-3+
InChIKeyRWTFJTLXPIGFPX-ZZXKWVIFSA-N
MW128.13 g/mol
LogP-0.66
Rot. Bonds3

About 4-imino-N-methyl-2-oxobutanamide

4-imino-N-methyl-2-oxobutanamide (PubChem CID 163947894) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-imino-N-methyl-2-oxobutanamide.

Molecular Properties

Compound Name4-imino-N-methyl-2-oxobutanamide
PubChem CID163947894
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name4-imino-N-methyl-2-oxobutanamide
SMILES[H]/N=C/CC(=O)C(=O)NC
InChIInChI=1S/C5H8N2O2/c1-7-5(9)4(8)2-3-6/h3,6H,2H2,1H3,(H,7,9)/b6-3+
InChIKeyRWTFJTLXPIGFPX-ZZXKWVIFSA-N
XLogP-0.66
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.66
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'}

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Related Compounds

N-(4-iminobutyl)-3-(methylamino)-2-oxopropanamide
CID 123362112
N-(3-imino-2-oxopropyl)acetamide
CID 141891338
3-imino-N-methyl-2-oxopropanamide
CID 142182500
3-diazo-N-methyl-2-oxopropanamide
CID 59073253
5-Imino-1-(methylamino)pentan-2-one
CID 163516564

Frequently Asked Questions

What is the IUPAC name of 4-imino-N-methyl-2-oxobutanamide?
The IUPAC name of 4-imino-N-methyl-2-oxobutanamide (CID 163947894) is 4-imino-N-methyl-2-oxobutanamide.
What is the SMILES notation for 4-imino-N-methyl-2-oxobutanamide?
The canonical SMILES for 4-imino-N-methyl-2-oxobutanamide is [H]/N=C/CC(=O)C(=O)NC.
What is the InChIKey of 4-imino-N-methyl-2-oxobutanamide?
The InChIKey is RWTFJTLXPIGFPX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-5(9)4(8)2-3-6/h3,6H,2H2,1H3,(H,7,9)/b6-3+.
What are the key properties of 4-imino-N-methyl-2-oxobutanamide?
4-imino-N-methyl-2-oxobutanamide has a molecular weight of 128.13 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-methyl-2-oxobutanamide is sourced from PubChem (CID 163947894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).