2,3,4,5,6-pentamethylbenzohydrazide

C12H18N2O — CID 43091089

IUPAC2,3,4,5,6-pentamethylbenzohydrazide
SMILESCc1c(C)c(C)c(C(=O)NN)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-6-7(2)9(4)11(12(15)14-13)10(5)8(6)3/h13H2,1-5H3,(H,14,15)
InChIKeyAJTIVRITQAYVSM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds1

About 2,3,4,5,6-pentamethylbenzohydrazide

2,3,4,5,6-pentamethylbenzohydrazide (PubChem CID 43091089) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylbenzohydrazide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylbenzohydrazide
PubChem CID43091089
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,3,4,5,6-pentamethylbenzohydrazide
SMILESCc1c(C)c(C)c(C(=O)NN)c(C)c1C
InChIInChI=1S/C12H18N2O/c1-6-7(2)9(4)11(12(15)14-13)10(5)8(6)3/h13H2,1-5H3,(H,14,15)
InChIKeyAJTIVRITQAYVSM-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylbenzohydrazide?
The IUPAC name of 2,3,4,5,6-pentamethylbenzohydrazide (CID 43091089) is 2,3,4,5,6-pentamethylbenzohydrazide.
What is the SMILES notation for 2,3,4,5,6-pentamethylbenzohydrazide?
The canonical SMILES for 2,3,4,5,6-pentamethylbenzohydrazide is Cc1c(C)c(C)c(C(=O)NN)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethylbenzohydrazide?
The InChIKey is AJTIVRITQAYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-6-7(2)9(4)11(12(15)14-13)10(5)8(6)3/h13H2,1-5H3,(H,14,15).
What are the key properties of 2,3,4,5,6-pentamethylbenzohydrazide?
2,3,4,5,6-pentamethylbenzohydrazide has a molecular weight of 206.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylbenzohydrazide is sourced from PubChem (CID 43091089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).