methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate

C13H15ClN2O2 — CID 90464018

IUPACmethyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CC[C@]2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C13H15ClN2O2/c1-18-12(17)16-5-4-13(8-16)7-15-11-3-2-9(14)6-10(11)13/h2-3,6,15H,4-5,7-8H2,1H3/t13-/m0/s1
InChIKeyGJTXMMVMBYQRAE-ZDUSSCGKSA-N
MW266.73 g/mol
LogP2.48
Rot. Bonds

About methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate

methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate (PubChem CID 90464018) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
PubChem CID90464018
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Namemethyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CC[C@]2(CNc3ccc(Cl)cc32)C1
InChIInChI=1S/C13H15ClN2O2/c1-18-12(17)16-5-4-13(8-16)7-15-11-3-2-9(14)6-10(11)13/h2-3,6,15H,4-5,7-8H2,1H3/t13-/m0/s1
InChIKeyGJTXMMVMBYQRAE-ZDUSSCGKSA-N
XLogP2.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate (CID 90464018) is methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate is COC(=O)N1CC[C@]2(CNc3ccc(Cl)cc32)C1.
What is the InChIKey of methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
The InChIKey is GJTXMMVMBYQRAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-18-12(17)16-5-4-13(8-16)7-15-11-3-2-9(14)6-10(11)13/h2-3,6,15H,4-5,7-8H2,1H3/t13-/m0/s1.
What are the key properties of methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate?
methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate has a molecular weight of 266.73 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 90464018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).