[(3-tert-butylcyclobutylidene)amino] benzoate

C15H19NO2 — CID 102015578

IUPAC[(3-tert-butylcyclobutylidene)amino] benzoate
SMILESCC(C)(C)C1CC(=NOC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(2,3)12-9-13(10-12)16-18-14(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b16-13-
InChIKeyONJCQOYGICELMA-SSZFMOIBSA-N
MW245.32 g/mol
LogP3.66
Rot. Bonds2

About [(3-tert-butylcyclobutylidene)amino] benzoate

[(3-tert-butylcyclobutylidene)amino] benzoate (PubChem CID 102015578) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(3-tert-butylcyclobutylidene)amino] benzoate.

Molecular Properties

Compound Name[(3-tert-butylcyclobutylidene)amino] benzoate
PubChem CID102015578
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[(3-tert-butylcyclobutylidene)amino] benzoate
SMILESCC(C)(C)C1CC(=NOC(=O)c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(2,3)12-9-13(10-12)16-18-14(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b16-13-
InChIKeyONJCQOYGICELMA-SSZFMOIBSA-N
XLogP3.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3,3-diphenylcyclobutylidene)amino] benzoate
CID 11772212
[(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] benzoate
CID 2822575
[(Z)-[(2R,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amino] benzoate
CID 7393207
CID 162139404
CID 162139404
[(Z)-[(2R,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino] benzoate
CID 5403700
[(E)-[(2S,5R)-1,2,5-trimethylpiperidin-4-ylidene]amino] benzoate
CID 7065690
[(1R,3R)-3-tert-butylcyclohexyl] benzoate
CID 90714659
[(Z)-[(2S)-2-methyloxolan-3-ylidene]amino] benzoate
CID 6975459
(cyclododecylideneamino) 4-tert-butylbenzoate
CID 5211704
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
[(E)-(2,2-dimethyl-4,4-diphenylbut-3-enylidene)amino] benzoate
CID 15636099
[(4-tert-butylcyclohexylidene)amino] (E)-3-phenylprop-2-enoate
CID 680309

Frequently Asked Questions

What is the IUPAC name of [(3-tert-butylcyclobutylidene)amino] benzoate?
The IUPAC name of [(3-tert-butylcyclobutylidene)amino] benzoate (CID 102015578) is [(3-tert-butylcyclobutylidene)amino] benzoate.
What is the SMILES notation for [(3-tert-butylcyclobutylidene)amino] benzoate?
The canonical SMILES for [(3-tert-butylcyclobutylidene)amino] benzoate is CC(C)(C)C1CC(=NOC(=O)c2ccccc2)C1.
What is the InChIKey of [(3-tert-butylcyclobutylidene)amino] benzoate?
The InChIKey is ONJCQOYGICELMA-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,3)12-9-13(10-12)16-18-14(17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b16-13-.
What are the key properties of [(3-tert-butylcyclobutylidene)amino] benzoate?
[(3-tert-butylcyclobutylidene)amino] benzoate has a molecular weight of 245.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-tert-butylcyclobutylidene)amino] benzoate is sourced from PubChem (CID 102015578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).