1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one

C12H14N2O2 — CID 90695133

IUPAC1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCON1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-16-14-10-5-3-2-4-9(10)12(11(14)15)6-7-13-8-12/h2-5,13H,6-8H2,1H3
InChIKeyTVKCHXPYQJQNNR-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.83
Rot. Bonds1

About 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one

1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 90695133) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID90695133
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCON1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-16-14-10-5-3-2-4-9(10)12(11(14)15)6-7-13-8-12/h2-5,13H,6-8H2,1H3
InChIKeyTVKCHXPYQJQNNR-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one (CID 90695133) is 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one is CON1C(=O)C2(CCNC2)c2ccccc21.
What is the InChIKey of 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is TVKCHXPYQJQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-14-10-5-3-2-4-9(10)12(11(14)15)6-7-13-8-12/h2-5,13H,6-8H2,1H3.
What are the key properties of 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one?
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 90695133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).