N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide

C6H11ClN2O — CID 2398066

IUPACN'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NN/C=C/Cl
InChIInChI=1S/C6H11ClN2O/c1-5(2)6(10)9-8-4-3-7/h3-5,8H,1-2H3,(H,9,10)/b4-3+
InChIKeyOQYKQPJEDBJLQE-ONEGZZNKSA-N
MW162.62 g/mol
LogP0.97
Rot. Bonds3

About N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide

N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide (PubChem CID 2398066) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide
PubChem CID2398066
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC NameN'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NN/C=C/Cl
InChIInChI=1S/C6H11ClN2O/c1-5(2)6(10)9-8-4-3-7/h3-5,8H,1-2H3,(H,9,10)/b4-3+
InChIKeyOQYKQPJEDBJLQE-ONEGZZNKSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide (CID 2398066) is N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide is CC(C)C(=O)NN/C=C/Cl.
What is the InChIKey of N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide?
The InChIKey is OQYKQPJEDBJLQE-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11ClN2O/c1-5(2)6(10)9-8-4-3-7/h3-5,8H,1-2H3,(H,9,10)/b4-3+.
What are the key properties of N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide?
N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide has a molecular weight of 162.62 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide is sourced from PubChem (CID 2398066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).