N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide

C6H12N4O — CID 146530135

IUPACN-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide
SMILESC/C=C(CNC(C)=O)\N=N\N
InChIInChI=1S/C6H12N4O/c1-3-6(9-10-7)4-8-5(2)11/h3H,4H2,1-2H3,(H2,7,9)(H,8,11)/b6-3-
InChIKeyMIJOCMRROHIYAR-UTCJRWHESA-N
MW156.19 g/mol
LogP0.35
Rot. Bonds3

About N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide

N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide (PubChem CID 146530135) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide
PubChem CID146530135
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC NameN-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide
SMILESC/C=C(CNC(C)=O)\N=N\N
InChIInChI=1S/C6H12N4O/c1-3-6(9-10-7)4-8-5(2)11/h3H,4H2,1-2H3,(H2,7,9)(H,8,11)/b6-3-
InChIKeyMIJOCMRROHIYAR-UTCJRWHESA-N
XLogP0.35
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.35
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'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide (CID 146530135) is N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide is C/C=C(CNC(C)=O)\N=N\N.
What is the InChIKey of N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide?
The InChIKey is MIJOCMRROHIYAR-UTCJRWHESA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-6(9-10-7)4-8-5(2)11/h3H,4H2,1-2H3,(H2,7,9)(H,8,11)/b6-3-.
What are the key properties of N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide?
N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide has a molecular weight of 156.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(aminodiazenyl)but-2-enyl]acetamide is sourced from PubChem (CID 146530135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).