3-methyl-4-propan-2-ylbenzohydrazide

C11H16N2O — CID 130427973

IUPAC3-methyl-4-propan-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NN)ccc1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)10-5-4-9(6-8(10)3)11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyUKNJBNYRZSBXJW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.72
Rot. Bonds2

About 3-methyl-4-propan-2-ylbenzohydrazide

3-methyl-4-propan-2-ylbenzohydrazide (PubChem CID 130427973) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylbenzohydrazide.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylbenzohydrazide
PubChem CID130427973
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-4-propan-2-ylbenzohydrazide
SMILESCc1cc(C(=O)NN)ccc1C(C)C
InChIInChI=1S/C11H16N2O/c1-7(2)10-5-4-9(6-8(10)3)11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyUKNJBNYRZSBXJW-UHFFFAOYSA-N
XLogP1.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.72
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

N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
3-methyl-N,4-di(propan-2-yl)benzamide
CID 59515405
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
(3-methyl-4-propan-2-ylphenyl) N-aminocarbamate
CID 112709148
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
3-iodo-4-methylbenzohydrazide
CID 59732500
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
2-(2-ethoxyethoxy)ethyl 3-methyl-4-propan-2-ylbenzoate
CID 130428070
4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylbenzohydrazide?
The IUPAC name of 3-methyl-4-propan-2-ylbenzohydrazide (CID 130427973) is 3-methyl-4-propan-2-ylbenzohydrazide.
What is the SMILES notation for 3-methyl-4-propan-2-ylbenzohydrazide?
The canonical SMILES for 3-methyl-4-propan-2-ylbenzohydrazide is Cc1cc(C(=O)NN)ccc1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-ylbenzohydrazide?
The InChIKey is UKNJBNYRZSBXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)10-5-4-9(6-8(10)3)11(14)13-12/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-4-propan-2-ylbenzohydrazide?
3-methyl-4-propan-2-ylbenzohydrazide has a molecular weight of 192.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-ylbenzohydrazide is sourced from PubChem (CID 130427973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).