2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide

C8H13N5O — CID 61373270

IUPAC2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14)
InChIKeyNBXRYMRATZBQAR-UHFFFAOYSA-N
MW195.23 g/mol
LogP1.35
Rot. Bonds4

About 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 61373270) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID61373270
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14)
InChIKeyNBXRYMRATZBQAR-UHFFFAOYSA-N
XLogP1.35
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 61373270) is 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is NBXRYMRATZBQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-6(2)8(3,5-9)12-7(14)4-11-13-10/h6H,4H2,1-3H3,(H,12,14).
What are the key properties of 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 195.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61373270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).