3-diazo-N-ethyl-2-oxopropanamide

C5H7N3O2 — CID 135457364

IUPAC3-diazo-N-ethyl-2-oxopropanamide
SMILESCCNC(=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C5H7N3O2/c1-2-7-5(10)4(9)3-8-6/h3H,2H2,1H3,(H,7,10)
InChIKeySMVANKRXQAEKKE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.01
Rot. Bonds3

About 3-diazo-N-ethyl-2-oxopropanamide

3-diazo-N-ethyl-2-oxopropanamide (PubChem CID 135457364) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-diazo-N-ethyl-2-oxopropanamide.

Molecular Properties

Compound Name3-diazo-N-ethyl-2-oxopropanamide
PubChem CID135457364
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-diazo-N-ethyl-2-oxopropanamide
SMILESCCNC(=O)C(=O)C=[N+]=[N-]
InChIInChI=1S/C5H7N3O2/c1-2-7-5(10)4(9)3-8-6/h3H,2H2,1H3,(H,7,10)
InChIKeySMVANKRXQAEKKE-UHFFFAOYSA-N
XLogP-1.01
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.01
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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Frequently Asked Questions

What is the IUPAC name of 3-diazo-N-ethyl-2-oxopropanamide?
The IUPAC name of 3-diazo-N-ethyl-2-oxopropanamide (CID 135457364) is 3-diazo-N-ethyl-2-oxopropanamide.
What is the SMILES notation for 3-diazo-N-ethyl-2-oxopropanamide?
The canonical SMILES for 3-diazo-N-ethyl-2-oxopropanamide is CCNC(=O)C(=O)C=[N+]=[N-].
What is the InChIKey of 3-diazo-N-ethyl-2-oxopropanamide?
The InChIKey is SMVANKRXQAEKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-7-5(10)4(9)3-8-6/h3H,2H2,1H3,(H,7,10).
What are the key properties of 3-diazo-N-ethyl-2-oxopropanamide?
3-diazo-N-ethyl-2-oxopropanamide has a molecular weight of 141.13 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-N-ethyl-2-oxopropanamide is sourced from PubChem (CID 135457364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).