benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate

C19H20N2O2 — CID 162726920

IUPACbenzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c22-18(23-12-15-6-2-1-3-7-15)21-11-10-19(14-21)13-20-17-9-5-4-8-16(17)19/h1-9,20H,10-14H2
InChIKeyFQXBYMGFAPEGMC-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.39
Rot. Bonds2

About benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate

benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 162726920) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID162726920
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namebenzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CNc3ccccc32)C1
InChIInChI=1S/C19H20N2O2/c22-18(23-12-15-6-2-1-3-7-15)21-11-10-19(14-21)13-20-17-9-5-4-8-16(17)19/h1-9,20H,10-14H2
InChIKeyFQXBYMGFAPEGMC-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 22490355
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
benzyl 4-(1-hydroxy-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethyl)piperidine-1-carboxylate;ethane
CID 91597333
benzyl 5-(4-fluorophenyl)sulfanylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 71246037
benzyl 2-oxospiro[1H-3,1-benzoxazine-4,3'-pyrrolidine]-1'-carboxylate
CID 134794145
benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376
benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
CID 178067886
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
3-ethyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 63146599
3-(fluoromethyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 19691484
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536

Frequently Asked Questions

What is the IUPAC name of benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate (CID 162726920) is benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CCC2(CNc3ccccc32)C1.
What is the InChIKey of benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is FQXBYMGFAPEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(23-12-15-6-2-1-3-7-15)21-11-10-19(14-21)13-20-17-9-5-4-8-16(17)19/h1-9,20H,10-14H2.
What are the key properties of benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 162726920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).