methyl N-phenylethanehydrazonate

C9H12N2O — CID 54154372

IUPACmethyl N-phenylethanehydrazonate
SMILESCOC(C)=NNc1ccccc1
InChIInChI=1S/C9H12N2O/c1-8(12-2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3
InChIKeyOJZGNWFFXSUKHL-UHFFFAOYSA-N
MW164.21 g/mol
LogP2.08
Rot. Bonds2

About methyl N-phenylethanehydrazonate

methyl N-phenylethanehydrazonate (PubChem CID 54154372) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is methyl N-phenylethanehydrazonate.

Molecular Properties

Compound Namemethyl N-phenylethanehydrazonate
PubChem CID54154372
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Namemethyl N-phenylethanehydrazonate
SMILESCOC(C)=NNc1ccccc1
InChIInChI=1S/C9H12N2O/c1-8(12-2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3
InChIKeyOJZGNWFFXSUKHL-UHFFFAOYSA-N
XLogP2.08
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N-phenylethanehydrazonate?
The IUPAC name of methyl N-phenylethanehydrazonate (CID 54154372) is methyl N-phenylethanehydrazonate.
What is the SMILES notation for methyl N-phenylethanehydrazonate?
The canonical SMILES for methyl N-phenylethanehydrazonate is COC(C)=NNc1ccccc1.
What is the InChIKey of methyl N-phenylethanehydrazonate?
The InChIKey is OJZGNWFFXSUKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(12-2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3.
What are the key properties of methyl N-phenylethanehydrazonate?
methyl N-phenylethanehydrazonate has a molecular weight of 164.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenylethanehydrazonate is sourced from PubChem (CID 54154372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).