tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)

C14H18CuNO3 — CID 135045969

IUPACtert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
SMILESCOc1c[c-]c2c(c1)CCN2C(=O)OC(C)(C)C.[Cu+]
InChIInChI=1S/C14H18NO3.Cu/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15;/h5,9H,7-8H2,1-4H3;/q-1;+1
InChIKeyFJNANKZCYSZBOS-UHFFFAOYSA-N
MW311.85 g/mol
LogP2.79
Rot. Bonds1

About tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)

tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) (PubChem CID 135045969) has the molecular formula C14H18CuNO3 and a molecular weight of 311.85 g/mol. Its IUPAC name is tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+).

Molecular Properties

Compound Nametert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
PubChem CID135045969
Molecular FormulaC14H18CuNO3
Molecular Weight311.85 g/mol
Exact Mass311.06
IUPAC Nametert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
SMILESCOc1c[c-]c2c(c1)CCN2C(=O)OC(C)(C)C.[Cu+]
InChIInChI=1S/C14H18NO3.Cu/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15;/h5,9H,7-8H2,1-4H3;/q-1;+1
InChIKeyFJNANKZCYSZBOS-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)
CID 135045942
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tert-butyl 2-methoxy-1,4,7-trimethyl-5,7-dihydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate
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5,6-Dimethyl-3-propan-2-yl-4,5-dihydro-1,3-benzoxazol-2-one
CID 174351640
lithium tert-butyl 5-methoxy-2-methyl-3,7-dihydro-2H-indol-7-ide-1-carboxylate
CID 10801901
lithium tert-butyl 5-methoxy-2-methyl-3,6-dihydro-2H-indol-6-ide-1-carboxylate
CID 23691492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The IUPAC name of tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) (CID 135045969) is tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+).
What is the SMILES notation for tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The canonical SMILES for tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) is COc1c[c-]c2c(c1)CCN2C(=O)OC(C)(C)C.[Cu+].
What is the InChIKey of tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
The InChIKey is FJNANKZCYSZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO3.Cu/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15;/h5,9H,7-8H2,1-4H3;/q-1;+1.
What are the key properties of tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+)?
tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) has a molecular weight of 311.85 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-methoxy-3,7-dihydro-2H-indol-7-ide-1-carboxylate;copper(1+) is sourced from PubChem (CID 135045969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).