methyl 4-(hydrazinecarbonyl)-2-methylbenzoate

C10H12N2O3 — CID 162059999

IUPACmethyl 4-(hydrazinecarbonyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1C
InChIInChI=1S/C10H12N2O3/c1-6-5-7(9(13)12-11)3-4-8(6)10(14)15-2/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVRDJWJHNGWQVPO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.39
Rot. Bonds2

About methyl 4-(hydrazinecarbonyl)-2-methylbenzoate

methyl 4-(hydrazinecarbonyl)-2-methylbenzoate (PubChem CID 162059999) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 4-(hydrazinecarbonyl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(hydrazinecarbonyl)-2-methylbenzoate
PubChem CID162059999
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 4-(hydrazinecarbonyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(C(=O)NN)cc1C
InChIInChI=1S/C10H12N2O3/c1-6-5-7(9(13)12-11)3-4-8(6)10(14)15-2/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyVRDJWJHNGWQVPO-UHFFFAOYSA-N
XLogP0.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 2-acetamido-4-(hydrazinecarbonyl)benzoate
CID 67050072
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
methyl 4-(1-ethoxyethenyl)-2-methylbenzoate
CID 126751882
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
methyl 4-(3-chloropropanoyl)-2-methylbenzoate
CID 134613630
1-O-bromo 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 174737774
methyl 4-(2-chloropropanoyl)-2-methylbenzoate
CID 134635112
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
ethyl 3-(hydrazinecarbonyl)benzoate
CID 131844336
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydrazinecarbonyl)-2-methylbenzoate?
The IUPAC name of methyl 4-(hydrazinecarbonyl)-2-methylbenzoate (CID 162059999) is methyl 4-(hydrazinecarbonyl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(hydrazinecarbonyl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(hydrazinecarbonyl)-2-methylbenzoate is COC(=O)c1ccc(C(=O)NN)cc1C.
What is the InChIKey of methyl 4-(hydrazinecarbonyl)-2-methylbenzoate?
The InChIKey is VRDJWJHNGWQVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-5-7(9(13)12-11)3-4-8(6)10(14)15-2/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-(hydrazinecarbonyl)-2-methylbenzoate?
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate has a molecular weight of 208.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydrazinecarbonyl)-2-methylbenzoate is sourced from PubChem (CID 162059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).