2,3-dimethylbenzohydrazide

C9H12N2O — CID 16790549

IUPAC2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN)c1C
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyMGVMLDWHIXDMJI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.91
Rot. Bonds1

About 2,3-dimethylbenzohydrazide

2,3-dimethylbenzohydrazide (PubChem CID 16790549) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2,3-dimethylbenzohydrazide.

Molecular Properties

Compound Name2,3-dimethylbenzohydrazide
PubChem CID16790549
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2,3-dimethylbenzohydrazide
SMILESCc1cccc(C(=O)NN)c1C
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyMGVMLDWHIXDMJI-UHFFFAOYSA-N
XLogP0.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

benzohydrazide;N'-benzoyl-2,3-dimethylbenzohydrazide;2,3-dimethylbenzoyl chloride
CID 159300937
ethane;N,2,3-trimethylbenzamide
CID 178108869
3-methoxy-2-methylbenzohydrazide
CID 45091273
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
2,3-dimethyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 81341000
2,3-dimethylbenzamide;ethane
CID 143389789
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
2,3-dimethyl-N-(3-sulfamoylpropyl)benzamide
CID 47337096

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbenzohydrazide?
The IUPAC name of 2,3-dimethylbenzohydrazide (CID 16790549) is 2,3-dimethylbenzohydrazide.
What is the SMILES notation for 2,3-dimethylbenzohydrazide?
The canonical SMILES for 2,3-dimethylbenzohydrazide is Cc1cccc(C(=O)NN)c1C.
What is the InChIKey of 2,3-dimethylbenzohydrazide?
The InChIKey is MGVMLDWHIXDMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)9(12)11-10/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 2,3-dimethylbenzohydrazide?
2,3-dimethylbenzohydrazide has a molecular weight of 164.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbenzohydrazide is sourced from PubChem (CID 16790549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).