tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate

C17H22N2O3 — CID 59016189

IUPACtert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC1=Nc2ccccc2C12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(20)19-10-9-17(11-19)12-7-5-6-8-13(12)18-14(17)21-4/h5-8H,9-11H2,1-4H3
InChIKeyWWUHXHNUQLRBIA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.26
Rot. Bonds

About tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate

tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 59016189) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID59016189
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC1=Nc2ccccc2C12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(20)19-10-9-17(11-19)12-7-5-6-8-13(12)18-14(17)21-4/h5-8H,9-11H2,1-4H3
InChIKeyWWUHXHNUQLRBIA-UHFFFAOYSA-N
XLogP3.26
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate (CID 59016189) is tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate is COC1=Nc2ccccc2C12CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is WWUHXHNUQLRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-16(2,3)22-15(20)19-10-9-17(11-19)12-7-5-6-8-13(12)18-14(17)21-4/h5-8H,9-11H2,1-4H3.
What are the key properties of tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methoxyspiro[indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 59016189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).