(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C13H16N2O2 — CID 11042617

IUPAC(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C)C1)C(=O)N2
InChIInChI=1S/C13H16N2O2/c1-15-6-5-13(8-15)10-7-9(17-2)3-4-11(10)14-12(13)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyRVOLLKGLJIUGLG-ZDUSSCGKSA-N
MW232.28 g/mol
LogP1.22
Rot. Bonds1

About (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 11042617) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID11042617
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C)C1)C(=O)N2
InChIInChI=1S/C13H16N2O2/c1-15-6-5-13(8-15)10-7-9(17-2)3-4-11(10)14-12(13)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)/t13-/m0/s1
InChIKeyRVOLLKGLJIUGLG-ZDUSSCGKSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 11042617) is (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@@]1(CCN(C)C1)C(=O)N2.
What is the InChIKey of (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RVOLLKGLJIUGLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-6-5-13(8-15)10-7-9(17-2)3-4-11(10)14-12(13)16/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-1'-methylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 11042617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).