methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate

C24H22N2O3 — CID 101085570

IUPACmethyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)[C@H](c2cccc3ccccc23)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H22N2O3/c1-26-14-19(22(27)29-2)24(18-12-5-6-13-20(18)25-23(24)28)21(26)17-11-7-9-15-8-3-4-10-16(15)17/h3-13,19,21H,14H2,1-2H3,(H,25,28)/t19-,21+,24-/m0/s1
InChIKeyIKIAZCZEEFZSPR-LEEZEASISA-N
MW386.45 g/mol
LogP3.51
Rot. Bonds2

About methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate

methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate (PubChem CID 101085570) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate
PubChem CID101085570
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Namemethyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)[C@H](c2cccc3ccccc23)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H22N2O3/c1-26-14-19(22(27)29-2)24(18-12-5-6-13-20(18)25-23(24)28)21(26)17-11-7-9-15-8-3-4-10-16(15)17/h3-13,19,21H,14H2,1-2H3,(H,25,28)/t19-,21+,24-/m0/s1
InChIKeyIKIAZCZEEFZSPR-LEEZEASISA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate?
The IUPAC name of methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate (CID 101085570) is methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate.
What is the SMILES notation for methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate?
The canonical SMILES for methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate is COC(=O)[C@@H]1CN(C)[C@H](c2cccc3ccccc23)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate?
The InChIKey is IKIAZCZEEFZSPR-LEEZEASISA-N. The full InChI is InChI=1S/C24H22N2O3/c1-26-14-19(22(27)29-2)24(18-12-5-6-13-20(18)25-23(24)28)21(26)17-11-7-9-15-8-3-4-10-16(15)17/h3-13,19,21H,14H2,1-2H3,(H,25,28)/t19-,21+,24-/m0/s1.
What are the key properties of methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate?
methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,3'S,5'R)-1'-methyl-5'-naphthalen-1-yl-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylate is sourced from PubChem (CID 101085570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).