1-[acetyl(diazonio)amino]-1-oxobutane

C6H10N3O2+ — CID 56618970

IUPAC1-[acetyl(diazonio)amino]-1-oxobutane
SMILESCCCC(=O)N([N+]#N)C(C)=O
InChIInChI=1S/C6H10N3O2/c1-3-4-6(11)9(8-7)5(2)10/h3-4H2,1-2H3/q+1
InChIKeyHDBFHBIGHCSXTF-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.93
Rot. Bonds2

About 1-[acetyl(diazonio)amino]-1-oxobutane

1-[acetyl(diazonio)amino]-1-oxobutane (PubChem CID 56618970) has the molecular formula C6H10N3O2+ and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-[acetyl(diazonio)amino]-1-oxobutane.

Molecular Properties

Compound Name1-[acetyl(diazonio)amino]-1-oxobutane
PubChem CID56618970
Molecular FormulaC6H10N3O2+
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name1-[acetyl(diazonio)amino]-1-oxobutane
SMILESCCCC(=O)N([N+]#N)C(C)=O
InChIInChI=1S/C6H10N3O2/c1-3-4-6(11)9(8-7)5(2)10/h3-4H2,1-2H3/q+1
InChIKeyHDBFHBIGHCSXTF-UHFFFAOYSA-N
XLogP0.93
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-N-methylbutanamide
CID 142271883
N,N-dibromobutanamide
CID 154147629
N,N-dimethylbutanamide;hydrochloride
CID 87498306
CID 171375174
CID 171375174
CID 18739109
CID 18739109
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986
N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260
N-acetyl-N-methyltetradecanamide
CID 54508567
N-propylbutanehydrazide
CID 165487733
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-(dimethylcarbamoyl)-N-methylbutanamide
CID 178179553
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(diazonio)amino]-1-oxobutane?
The IUPAC name of 1-[acetyl(diazonio)amino]-1-oxobutane (CID 56618970) is 1-[acetyl(diazonio)amino]-1-oxobutane.
What is the SMILES notation for 1-[acetyl(diazonio)amino]-1-oxobutane?
The canonical SMILES for 1-[acetyl(diazonio)amino]-1-oxobutane is CCCC(=O)N([N+]#N)C(C)=O.
What is the InChIKey of 1-[acetyl(diazonio)amino]-1-oxobutane?
The InChIKey is HDBFHBIGHCSXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O2/c1-3-4-6(11)9(8-7)5(2)10/h3-4H2,1-2H3/q+1.
What are the key properties of 1-[acetyl(diazonio)amino]-1-oxobutane?
1-[acetyl(diazonio)amino]-1-oxobutane has a molecular weight of 156.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(diazonio)amino]-1-oxobutane is sourced from PubChem (CID 56618970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).