4-tert-butylbenzohydrazide;hydrochloride

C11H17ClN2O — CID 175372968

IUPAC4-tert-butylbenzohydrazide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NN)cc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;/h4-7H,12H2,1-3H3,(H,13,14);1H
InChIKeyXIQRKSWDQLUUBW-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.01
Rot. Bonds1

About 4-tert-butylbenzohydrazide;hydrochloride

4-tert-butylbenzohydrazide;hydrochloride (PubChem CID 175372968) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-tert-butylbenzohydrazide;hydrochloride.

Molecular Properties

Compound Name4-tert-butylbenzohydrazide;hydrochloride
PubChem CID175372968
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-tert-butylbenzohydrazide;hydrochloride
SMILESCC(C)(C)c1ccc(C(=O)NN)cc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;/h4-7H,12H2,1-3H3,(H,13,14);1H
InChIKeyXIQRKSWDQLUUBW-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.01
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

CID 172553263
CID 172553263
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4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
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4-tert-butylbenzoic acid;copper
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CID 67550053
CID 67550053

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzohydrazide;hydrochloride?
The IUPAC name of 4-tert-butylbenzohydrazide;hydrochloride (CID 175372968) is 4-tert-butylbenzohydrazide;hydrochloride.
What is the SMILES notation for 4-tert-butylbenzohydrazide;hydrochloride?
The canonical SMILES for 4-tert-butylbenzohydrazide;hydrochloride is CC(C)(C)c1ccc(C(=O)NN)cc1.Cl.
What is the InChIKey of 4-tert-butylbenzohydrazide;hydrochloride?
The InChIKey is XIQRKSWDQLUUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12;/h4-7H,12H2,1-3H3,(H,13,14);1H.
What are the key properties of 4-tert-butylbenzohydrazide;hydrochloride?
4-tert-butylbenzohydrazide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzohydrazide;hydrochloride is sourced from PubChem (CID 175372968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).