2-diazenylbutanamide

C4H9N3O — CID 54086751

IUPAC2-diazenylbutanamide
SMILES[H]/N=N/C(CC)C(N)=O
InChIInChI=1S/C4H9N3O/c1-2-3(7-6)4(5)8/h3,6H,2H2,1H3,(H2,5,8)/b7-6+
InChIKeyBROAVOGRESODTB-VOTSOKGWSA-N
MW115.14 g/mol
LogP0.28
Rot. Bonds3

About 2-diazenylbutanamide

2-diazenylbutanamide (PubChem CID 54086751) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-diazenylbutanamide.

Molecular Properties

Compound Name2-diazenylbutanamide
PubChem CID54086751
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-diazenylbutanamide
SMILES[H]/N=N/C(CC)C(N)=O
InChIInChI=1S/C4H9N3O/c1-2-3(7-6)4(5)8/h3,6H,2H2,1H3,(H2,5,8)/b7-6+
InChIKeyBROAVOGRESODTB-VOTSOKGWSA-N
XLogP0.28
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.28
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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Frequently Asked Questions

What is the IUPAC name of 2-diazenylbutanamide?
The IUPAC name of 2-diazenylbutanamide (CID 54086751) is 2-diazenylbutanamide.
What is the SMILES notation for 2-diazenylbutanamide?
The canonical SMILES for 2-diazenylbutanamide is [H]/N=N/C(CC)C(N)=O.
What is the InChIKey of 2-diazenylbutanamide?
The InChIKey is BROAVOGRESODTB-VOTSOKGWSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2-3(7-6)4(5)8/h3,6H,2H2,1H3,(H2,5,8)/b7-6+.
What are the key properties of 2-diazenylbutanamide?
2-diazenylbutanamide has a molecular weight of 115.14 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylbutanamide is sourced from PubChem (CID 54086751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).