3-diazo-N-methyl-2-oxopropanamide

C4H5N3O2 — CID 59073253

IUPAC3-diazo-N-methyl-2-oxopropanamide
SMILESCNC(=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C4H5N3O2/c1-6-4(9)3(8)2-7-5/h2H,1H3,(H,6,9)
InChIKeyXRYLLQYSWXJQHT-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.40
Rot. Bonds2

About 3-diazo-N-methyl-2-oxopropanamide

3-diazo-N-methyl-2-oxopropanamide (PubChem CID 59073253) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 3-diazo-N-methyl-2-oxopropanamide.

Molecular Properties

Compound Name3-diazo-N-methyl-2-oxopropanamide
PubChem CID59073253
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name3-diazo-N-methyl-2-oxopropanamide
SMILESCNC(=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C4H5N3O2/c1-6-4(9)3(8)2-7-5/h2H,1H3,(H,6,9)
InChIKeyXRYLLQYSWXJQHT-UHFFFAOYSA-N
XLogP-1.40
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium
CID 59073252
1-deuterio-N-(4-diazo-3-oxobutan-2-yl)formamide
CID 136052818
3-imino-N-methyl-2-oxopropanamide
CID 142182500
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-Acetamido-1-diazoniobut-1-en-2-olate
CID 71409177
N-(4-diazo-3-oxobutan-2-yl)formamide
CID 73693085
3-diazo-N-ethyl-2-oxopropanamide
CID 135457364

Frequently Asked Questions

What is the IUPAC name of 3-diazo-N-methyl-2-oxopropanamide?
The IUPAC name of 3-diazo-N-methyl-2-oxopropanamide (CID 59073253) is 3-diazo-N-methyl-2-oxopropanamide.
What is the SMILES notation for 3-diazo-N-methyl-2-oxopropanamide?
The canonical SMILES for 3-diazo-N-methyl-2-oxopropanamide is CNC(=O)C(=O)C=[N+]=[N-].
What is the InChIKey of 3-diazo-N-methyl-2-oxopropanamide?
The InChIKey is XRYLLQYSWXJQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c1-6-4(9)3(8)2-7-5/h2H,1H3,(H,6,9).
What are the key properties of 3-diazo-N-methyl-2-oxopropanamide?
3-diazo-N-methyl-2-oxopropanamide has a molecular weight of 127.10 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-N-methyl-2-oxopropanamide is sourced from PubChem (CID 59073253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).