benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate

C20H22N2O2 — CID 125421522

IUPACbenzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@]12CCNc1ccccc12
InChIInChI=1S/C20H22N2O2/c23-19(24-15-16-7-2-1-3-8-16)22-14-6-11-20(22)12-13-21-18-10-5-4-9-17(18)20/h1-5,7-10,21H,6,11-15H2/t20-/m1/s1
InChIKeyYDHJCLRDTKNQRI-HXUWFJFHSA-N
MW322.41 g/mol
LogP4.13
Rot. Bonds2

About benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate

benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate (PubChem CID 125421522) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
PubChem CID125421522
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Namebenzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC[C@]12CCNc1ccccc12
InChIInChI=1S/C20H22N2O2/c23-19(24-15-16-7-2-1-3-8-16)22-14-6-11-20(22)12-13-21-18-10-5-4-9-17(18)20/h1-5,7-10,21H,6,11-15H2/t20-/m1/s1
InChIKeyYDHJCLRDTKNQRI-HXUWFJFHSA-N
XLogP4.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl spiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 162726920
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
CID 71741476
benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 54125624
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 78357894

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate?
The IUPAC name of benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate (CID 125421522) is benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CCC[C@]12CCNc1ccccc12.
What is the InChIKey of benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate?
The InChIKey is YDHJCLRDTKNQRI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19(24-15-16-7-2-1-3-8-16)22-14-6-11-20(22)12-13-21-18-10-5-4-9-17(18)20/h1-5,7-10,21H,6,11-15H2/t20-/m1/s1.
What are the key properties of benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate?
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 125421522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).