methyl (1E)-4-methylbenzenecarbohydrazonate

C9H12N2O — CID 55253274

IUPACmethyl (1E)-4-methylbenzenecarbohydrazonate
SMILESCO/C(=N/N)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O/c1-7-3-5-8(6-4-7)9(11-10)12-2/h3-6H,10H2,1-2H3/b11-9+
InChIKeyHUJLHENEDNKWEB-PKNBQFBNSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds1

About methyl (1E)-4-methylbenzenecarbohydrazonate

methyl (1E)-4-methylbenzenecarbohydrazonate (PubChem CID 55253274) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is methyl (1E)-4-methylbenzenecarbohydrazonate.

Molecular Properties

Compound Namemethyl (1E)-4-methylbenzenecarbohydrazonate
PubChem CID55253274
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Namemethyl (1E)-4-methylbenzenecarbohydrazonate
SMILESCO/C(=N/N)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O/c1-7-3-5-8(6-4-7)9(11-10)12-2/h3-6H,10H2,1-2H3/b11-9+
InChIKeyHUJLHENEDNKWEB-PKNBQFBNSA-N
XLogP1.26
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.26
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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Related Compounds

[2-hydrazinylidene-1,2-bis(4-methylphenyl)ethylidene]hydrazine
CID 175459980
N,N'-diamino-4-methylbenzenecarboximidamide
CID 15721498
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
methyl N-[1-(carbamothioylamino)-2,2,2-trichloroethyl]-4-methylbenzenecarboximidate
CID 2830390
N,N'-diamino-N,4-dimethylbenzenecarboximidamide
CID 15721514
N-amino-N',4-dimethylbenzenecarboximidamide
CID 61360444
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
N-methoxy-2-(4-methylphenyl)prop-2-enamide
CID 166438497
dimethyl (Z)-2,3-bis(4-methylbenzoyl)but-2-enedioate
CID 102211491

Frequently Asked Questions

What is the IUPAC name of methyl (1E)-4-methylbenzenecarbohydrazonate?
The IUPAC name of methyl (1E)-4-methylbenzenecarbohydrazonate (CID 55253274) is methyl (1E)-4-methylbenzenecarbohydrazonate.
What is the SMILES notation for methyl (1E)-4-methylbenzenecarbohydrazonate?
The canonical SMILES for methyl (1E)-4-methylbenzenecarbohydrazonate is CO/C(=N/N)c1ccc(C)cc1.
What is the InChIKey of methyl (1E)-4-methylbenzenecarbohydrazonate?
The InChIKey is HUJLHENEDNKWEB-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-5-8(6-4-7)9(11-10)12-2/h3-6H,10H2,1-2H3/b11-9+.
What are the key properties of methyl (1E)-4-methylbenzenecarbohydrazonate?
methyl (1E)-4-methylbenzenecarbohydrazonate has a molecular weight of 164.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-4-methylbenzenecarbohydrazonate is sourced from PubChem (CID 55253274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).