1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C17H17N3O — CID 134791794

IUPAC1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cccnc1)C2
InChIInChI=1S/C17H17N3O/c21-16-17(14-5-1-2-6-15(14)19-16)7-9-20(12-17)11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,21)
InChIKeyXZHHYGMALJGWCS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.18
Rot. Bonds2

About 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 134791794) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID134791794
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(Cc1cccnc1)C2
InChIInChI=1S/C17H17N3O/c21-16-17(14-5-1-2-6-15(14)19-16)7-9-20(12-17)11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,21)
InChIKeyXZHHYGMALJGWCS-UHFFFAOYSA-N
XLogP2.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 134791794) is 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C12CCN(Cc1cccnc1)C2.
What is the InChIKey of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XZHHYGMALJGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-16-17(14-5-1-2-6-15(14)19-16)7-9-20(12-17)11-13-4-3-8-18-10-13/h1-6,8,10H,7,9,11-12H2,(H,19,21).
What are the key properties of 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridin-3-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134791794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).