methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate

C16H19NO3 — CID 135002062

IUPACmethyl 1-tert-butylimino-4-methoxyindene-2-carboxylate
SMILESCOC(=O)C1=Cc2c(OC)cccc2/C1=N\C(C)(C)C
InChIInChI=1S/C16H19NO3/c1-16(2,3)17-14-10-7-6-8-13(19-4)11(10)9-12(14)15(18)20-5/h6-9H,1-5H3/b17-14+
InChIKeyGTAOWUZKCFMIDF-SAPNQHFASA-N
MW273.33 g/mol
LogP2.85
Rot. Bonds2

About methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate

methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate (PubChem CID 135002062) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-tert-butylimino-4-methoxyindene-2-carboxylate
PubChem CID135002062
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 1-tert-butylimino-4-methoxyindene-2-carboxylate
SMILESCOC(=O)C1=Cc2c(OC)cccc2/C1=N\C(C)(C)C
InChIInChI=1S/C16H19NO3/c1-16(2,3)17-14-10-7-6-8-13(19-4)11(10)9-12(14)15(18)20-5/h6-9H,1-5H3/b17-14+
InChIKeyGTAOWUZKCFMIDF-SAPNQHFASA-N
XLogP2.85
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1E)-5-methoxyindan-1-one O-(2-methylbenzoyl)oxime
CID 9556941
3-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-yl)-chromen-2-one
CID 709474
ethyl 1-(methylnitroso)-3-phenyl-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-1H-indene-2-carboxylate
CID 11524965
ethyl (1E)-6-methoxy-1-[methyl(oxido)imino]-3-phenyl-1H-indene-2-carboxylate
CID 11530143
ethyl 3-ethyl-1-(methylnitroso)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11632586
ethyl 1-(methylnitroso)-3-phenyl-6-(2-phenylethoxy)-1H-indene-2-carboxylate
CID 11647600
ethyl 1-(methylnitroso)-3-phenyl-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11697915
ethyl 1-(methylnitroso)-3-(pentan-3-yl)-6-(3-phenylpropoxy)-1H-indene-2-carboxylate
CID 11704765
ethyl 1-(methylnitroso)-3-phenyl-6-(4-phenylbutoxy)-1H-indene-2-carboxylate
CID 44443529
(E)-ethyl 6-methoxy-1-(methoxyimino)-3-phenyl-1H-indene-2-carboxylate
CID 44443517
ethyl (1E)-1-[ethyl(oxido)imino]-6-methoxy-3-phenyl-1H-indene-2-carboxylate
CID 11624482
ethyl (3Z)-3-hydroxyimino-5-methoxy-1-phenylindene-2-carboxylate
CID 44413895

Frequently Asked Questions

What is the IUPAC name of methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate?
The IUPAC name of methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate (CID 135002062) is methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate.
What is the SMILES notation for methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate?
The canonical SMILES for methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate is COC(=O)C1=Cc2c(OC)cccc2/C1=N\C(C)(C)C.
What is the InChIKey of methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate?
The InChIKey is GTAOWUZKCFMIDF-SAPNQHFASA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)17-14-10-7-6-8-13(19-4)11(10)9-12(14)15(18)20-5/h6-9H,1-5H3/b17-14+.
What are the key properties of methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate?
methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-tert-butylimino-4-methoxyindene-2-carboxylate is sourced from PubChem (CID 135002062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).