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

C22H24N2O2 — CID 166444841

IUPACtert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)C(c1ccccc1)=Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-21(2,3)26-20(25)24-14-13-22(15-24)17-11-7-8-12-18(17)23-19(22)16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyNBLPYUHXFPCWLE-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.70
Rot. Bonds1

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

tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 166444841) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID166444841
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Nametert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C1)C(c1ccccc1)=Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-21(2,3)26-20(25)24-14-13-22(15-24)17-11-7-8-12-18(17)23-19(22)16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyNBLPYUHXFPCWLE-UHFFFAOYSA-N
XLogP4.70
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3H-Indolium, 2-(3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl)-1,3,3-trimethyl-, acetate (1:1)
CID 94613
tert-butyl (2'S)-4'-ethenyl-2'-(4-fluorophenyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134955311
tert-butyl 2'-(trifluoromethyl)spiro[2H-pyrrole-3,3'-indole]-1-carboxylate
CID 135026078
Oxazolo[3,4-a]pyridin-3-one, 1,5,6,7-tetrahydro-1,1-dimethyl-7,3'-spiro(7-trifluoromethyl-2-methyl-3H-indole)-
CID 622095
Tert-butyl 5-fluorospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 67375460
Tert-butyl 6-[3-(benzhydrylideneamino)-5-fluorophenyl]-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 122552807
tert-butyl (1S,5R)-6-[3-(benzhydrylideneamino)-5-fluorophenyl]-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 122552809
Tert-butyl 6-[3-(benzhydrylideneamino)-4-fluorophenyl]-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 140274324
tert-butyl 5-fluorospiro[2H-indole-3,1'-cyclohexane]-1-carboxylate
CID 152819113
tert-butyl (3R,4R)-3-[4-(benzhydrylideneamino)phenyl]-4-fluoropyrrolidine-1-carboxylate
CID 171624582
tert-butyl (3R)-3-phenyl-2,3-dihydroindole-1-carboxylate
CID 101410494
ethyl 9b-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 102406839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate (CID 166444841) is tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C1)C(c1ccccc1)=Nc1ccccc12.
What is the InChIKey of tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is NBLPYUHXFPCWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-21(2,3)26-20(25)24-14-13-22(15-24)17-11-7-8-12-18(17)23-19(22)16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate?
tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 166444841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).