1-(4-ethylphenyl)cyclobutane-1-carbohydrazide

C13H18N2O — CID 116844257

IUPAC1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
SMILESCCc1ccc(C2(C(=O)NN)CCC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)13(8-3-9-13)12(16)15-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,16)
InChIKeyIMKVGTPFLMMSKM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds3

About 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide

1-(4-ethylphenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844257) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
PubChem CID116844257
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
SMILESCCc1ccc(C2(C(=O)NN)CCC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)13(8-3-9-13)12(16)15-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,16)
InChIKeyIMKVGTPFLMMSKM-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide (CID 116844257) is 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide is CCc1ccc(C2(C(=O)NN)CCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide?
The InChIKey is IMKVGTPFLMMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-4-6-11(7-5-10)13(8-3-9-13)12(16)15-14/h4-7H,2-3,8-9,14H2,1H3,(H,15,16).
What are the key properties of 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide?
1-(4-ethylphenyl)cyclobutane-1-carbohydrazide has a molecular weight of 218.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).