2,2-dimethylpropanehydrazide

C5H12N2O — CID 545147

IUPAC2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NN
InChIInChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKeyOARJXUPBZNUYBG-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.02
Rot. Bonds

About 2,2-dimethylpropanehydrazide

2,2-dimethylpropanehydrazide (PubChem CID 545147) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name2,2-dimethylpropanehydrazide
PubChem CID545147
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2,2-dimethylpropanehydrazide
SMILESCC(C)(C)C(=O)NN
InChIInChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKeyOARJXUPBZNUYBG-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2,2-dimethylpropanehydrazide?
The IUPAC name of 2,2-dimethylpropanehydrazide (CID 545147) is 2,2-dimethylpropanehydrazide.
What is the SMILES notation for 2,2-dimethylpropanehydrazide?
The canonical SMILES for 2,2-dimethylpropanehydrazide is CC(C)(C)C(=O)NN.
What is the InChIKey of 2,2-dimethylpropanehydrazide?
The InChIKey is OARJXUPBZNUYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8).
What are the key properties of 2,2-dimethylpropanehydrazide?
2,2-dimethylpropanehydrazide has a molecular weight of 116.16 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanehydrazide is sourced from PubChem (CID 545147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).