methyl (1Z)-2-methylpropanehydrazonate

C5H12N2O — CID 89315805

IUPACmethyl (1Z)-2-methylpropanehydrazonate
SMILESCO/C(=N\N)C(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)5(7-6)8-3/h4H,6H2,1-3H3/b7-5-
InChIKeyFTKMAAXLHKSPHZ-ALCCZGGFSA-N
MW116.16 g/mol
LogP0.56
Rot. Bonds1

About methyl (1Z)-2-methylpropanehydrazonate

methyl (1Z)-2-methylpropanehydrazonate (PubChem CID 89315805) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is methyl (1Z)-2-methylpropanehydrazonate.

Molecular Properties

Compound Namemethyl (1Z)-2-methylpropanehydrazonate
PubChem CID89315805
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Namemethyl (1Z)-2-methylpropanehydrazonate
SMILESCO/C(=N\N)C(C)C
InChIInChI=1S/C5H12N2O/c1-4(2)5(7-6)8-3/h4H,6H2,1-3H3/b7-5-
InChIKeyFTKMAAXLHKSPHZ-ALCCZGGFSA-N
XLogP0.56
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl (1Z)-2-methylpropanehydrazonate?
The IUPAC name of methyl (1Z)-2-methylpropanehydrazonate (CID 89315805) is methyl (1Z)-2-methylpropanehydrazonate.
What is the SMILES notation for methyl (1Z)-2-methylpropanehydrazonate?
The canonical SMILES for methyl (1Z)-2-methylpropanehydrazonate is CO/C(=N\N)C(C)C.
What is the InChIKey of methyl (1Z)-2-methylpropanehydrazonate?
The InChIKey is FTKMAAXLHKSPHZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)5(7-6)8-3/h4H,6H2,1-3H3/b7-5-.
What are the key properties of methyl (1Z)-2-methylpropanehydrazonate?
methyl (1Z)-2-methylpropanehydrazonate has a molecular weight of 116.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1Z)-2-methylpropanehydrazonate is sourced from PubChem (CID 89315805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).