3-diazoprop-2-enamide;ethanol

C5H9N3O2 — CID 88686164

IUPAC3-diazoprop-2-enamide;ethanol
SMILESCCO.[N-]=[N+]=C=CC(N)=O
InChIInChI=1S/C3H3N3O.C2H6O/c4-3(7)1-2-6-5;1-2-3/h1H,(H2,4,7);3H,2H2,1H3
InChIKeySBNSLZVUTSNNDG-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.07
Rot. Bonds1

About 3-diazoprop-2-enamide;ethanol

3-diazoprop-2-enamide;ethanol (PubChem CID 88686164) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-diazoprop-2-enamide;ethanol.

Molecular Properties

Compound Name3-diazoprop-2-enamide;ethanol
PubChem CID88686164
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-diazoprop-2-enamide;ethanol
SMILESCCO.[N-]=[N+]=C=CC(N)=O
InChIInChI=1S/C3H3N3O.C2H6O/c4-3(7)1-2-6-5;1-2-3/h1H,(H2,4,7);3H,2H2,1H3
InChIKeySBNSLZVUTSNNDG-UHFFFAOYSA-N
XLogP-1.07
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-diazoprop-2-enamide;ethanol 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

penta-2,3-dienediamide
CID 176532064
ethanol;ethyl 2-diazoacetate
CID 161468576
2-[[(2E)-2-diazoacetyl]-methylamino]acetamide
CID 135801375
3-sulfanylideneprop-2-enamide
CID 18469785
ethanol;ethyl acetate
CID 173022006
CID 172708986
CID 172708986
ethanol;methanamine
CID 174381315
propane-1,2-diol;prop-2-enamide
CID 135223311
ethoxyethane;methyl carbamate
CID 18755981
(Z)-2-aminopent-2-enamide
CID 19089602
(E)-4-oxohex-2-enamide
CID 153226355
ethanol;ethyl acetate;hydrate
CID 86601158

Frequently Asked Questions

What is the IUPAC name of 3-diazoprop-2-enamide;ethanol?
The IUPAC name of 3-diazoprop-2-enamide;ethanol (CID 88686164) is 3-diazoprop-2-enamide;ethanol.
What is the SMILES notation for 3-diazoprop-2-enamide;ethanol?
The canonical SMILES for 3-diazoprop-2-enamide;ethanol is CCO.[N-]=[N+]=C=CC(N)=O.
What is the InChIKey of 3-diazoprop-2-enamide;ethanol?
The InChIKey is SBNSLZVUTSNNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O.C2H6O/c4-3(7)1-2-6-5;1-2-3/h1H,(H2,4,7);3H,2H2,1H3.
What are the key properties of 3-diazoprop-2-enamide;ethanol?
3-diazoprop-2-enamide;ethanol has a molecular weight of 143.15 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazoprop-2-enamide;ethanol is sourced from PubChem (CID 88686164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).