tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)

C13H16CuNO2 — CID 135045942

IUPACtert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
SMILESCC(C)(C)OC(=O)N1CCc2ccc[c-]c21.[Cu+]
InChIInChI=1S/C13H16NO2.Cu/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;/h4-6H,8-9H2,1-3H3;/q-1;+1
InChIKeyVCRBHEJHKYRKBI-UHFFFAOYSA-N
MW281.82 g/mol
LogP2.78
Rot. Bonds

About tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)

tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) (PubChem CID 135045942) has the molecular formula C13H16CuNO2 and a molecular weight of 281.82 g/mol. Its IUPAC name is tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+).

Molecular Properties

Compound Nametert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
PubChem CID135045942
Molecular FormulaC13H16CuNO2
Molecular Weight281.82 g/mol
Exact Mass281.05
IUPAC Nametert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
SMILESCC(C)(C)OC(=O)N1CCc2ccc[c-]c21.[Cu+]
InChIInChI=1S/C13H16NO2.Cu/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;/h4-6H,8-9H2,1-3H3;/q-1;+1
InChIKeyVCRBHEJHKYRKBI-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.82
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-vinyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 69069403
tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
CID 135045969
tert-butyl (2R)-3-ethenyl-5-methylidene-2-(tritiomethyl)-2H-pyrrole-1-carboxylate
CID 58135001
tert-butyl (2E)-2-butylidenepyrrolidine-1-carboxylate
CID 66694088
tert-butyl N-prop-2-enyl-N-[(1-prop-2-enyl-2,4-dihydroindol-7-yl)methyl]carbamate
CID 68001643
tert-butyl (2E)-2-propylidenepyrrolidine-1-carboxylate
CID 68252838
tert-butyl N-(2-methylhexa-1,3-dien-3-yl)-N-prop-2-enylcarbamate
CID 123365143
tert-butyl 5-buta-1,3-dien-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 123577229
Tert-butyl 3-buta-1,3-dien-2-yl-2,5-dihydropyrrole-1-carboxylate
CID 123931393
tert-butyl 4-ethenyl-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141175200
Tert-butyl 1,3-dihydrocyclopenta[c]pyridine-2-carboxylate
CID 141384249
Tert-butyl 1,3,3a,4-tetrahydroisoindole-2-carboxylate
CID 141429376

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The IUPAC name of tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) (CID 135045942) is tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+).
What is the SMILES notation for tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The canonical SMILES for tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) is CC(C)(C)OC(=O)N1CCc2ccc[c-]c21.[Cu+].
What is the InChIKey of tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The InChIKey is VCRBHEJHKYRKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO2.Cu/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14;/h4-6H,8-9H2,1-3H3;/q-1;+1.
What are the key properties of tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) has a molecular weight of 281.82 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) is sourced from PubChem (CID 135045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).