1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide

C12H15BrN2O — CID 116844351

IUPAC1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
SMILESCc1ccc(Br)cc1C1(C(=O)NN)CCC1
InChIInChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyBFLMAWMETAHIFC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.17
Rot. Bonds2

About 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide

1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844351) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
PubChem CID116844351
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide
SMILESCc1ccc(Br)cc1C1(C(=O)NN)CCC1
InChIInChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyBFLMAWMETAHIFC-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.17
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 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide (CID 116844351) is 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide is Cc1ccc(Br)cc1C1(C(=O)NN)CCC1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide?
The InChIKey is BFLMAWMETAHIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)12(5-2-6-12)11(16)15-14/h3-4,7H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide?
1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide has a molecular weight of 283.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).