N-(2-diazenylprop-2-enyl)acetamide

C5H9N3O — CID 90766582

IUPACN-(2-diazenylprop-2-enyl)acetamide
SMILES[H]/N=N/C(=C)CNC(C)=O
InChIInChI=1S/C5H9N3O/c1-4(8-6)3-7-5(2)9/h6H,1,3H2,2H3,(H,7,9)/b8-6+
InChIKeyZVWLLRNITKVATR-SOFGYWHQSA-N
MW127.15 g/mol
LogP0.67
Rot. Bonds3

About N-(2-diazenylprop-2-enyl)acetamide

N-(2-diazenylprop-2-enyl)acetamide (PubChem CID 90766582) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-(2-diazenylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-(2-diazenylprop-2-enyl)acetamide
PubChem CID90766582
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-(2-diazenylprop-2-enyl)acetamide
SMILES[H]/N=N/C(=C)CNC(C)=O
InChIInChI=1S/C5H9N3O/c1-4(8-6)3-7-5(2)9/h6H,1,3H2,2H3,(H,7,9)/b8-6+
InChIKeyZVWLLRNITKVATR-SOFGYWHQSA-N
XLogP0.67
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
2-amino-N-prop-1-en-2-ylacetamide
CID 88172544
2-amino-N-ethylprop-2-enamide
CID 89205058
N-[3-(methylamino)prop-1-en-2-yl]acetamide
CID 130352592
N-[(Z)-2-amino-3-(methylamino)prop-2-enyl]acetamide
CID 135230871
N-[2-(2-aminoethylamino)ethyl]-2-diazenylprop-2-enamide
CID 140637142
N-(2-aminoprop-2-enyl)acetamide;ethane
CID 143008579
N-ethyl-2-(prop-1-en-2-ylamino)acetamide
CID 143553128
N-[(E)-1-(methylamino)but-2-en-2-yl]acetamide;molecular hydrogen
CID 144369437
N-(2-aminoprop-2-enyl)acetamide;2-methylpropane
CID 144643638
ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 145027590
N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide
CID 146530135

Frequently Asked Questions

What is the IUPAC name of N-(2-diazenylprop-2-enyl)acetamide?
The IUPAC name of N-(2-diazenylprop-2-enyl)acetamide (CID 90766582) is N-(2-diazenylprop-2-enyl)acetamide.
What is the SMILES notation for N-(2-diazenylprop-2-enyl)acetamide?
The canonical SMILES for N-(2-diazenylprop-2-enyl)acetamide is [H]/N=N/C(=C)CNC(C)=O.
What is the InChIKey of N-(2-diazenylprop-2-enyl)acetamide?
The InChIKey is ZVWLLRNITKVATR-SOFGYWHQSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(8-6)3-7-5(2)9/h6H,1,3H2,2H3,(H,7,9)/b8-6+.
What are the key properties of N-(2-diazenylprop-2-enyl)acetamide?
N-(2-diazenylprop-2-enyl)acetamide has a molecular weight of 127.15 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diazenylprop-2-enyl)acetamide is sourced from PubChem (CID 90766582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).