2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one

C11H12N2O — CID 175909573

IUPAC2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILES[2H]C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/i6D
InChIKeyFQSHLSLQUHZOMV-RAMDWTOOSA-N
MW189.24 g/mol
LogP0.87
Rot. Bonds

About 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one

2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one (PubChem CID 175909573) has the molecular formula C11H12N2O and a molecular weight of 189.24 g/mol. Its IUPAC name is 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one.

Molecular Properties

Compound Name2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
PubChem CID175909573
Molecular FormulaC11H12N2O
Molecular Weight189.24 g/mol
Exact Mass189.10
IUPAC Name2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one
SMILES[2H]C1CC2(CN1)C(=O)Nc1ccccc12
InChIInChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/i6D
InChIKeyFQSHLSLQUHZOMV-RAMDWTOOSA-N
XLogP0.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one?
The IUPAC name of 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one (CID 175909573) is 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one.
What is the SMILES notation for 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one?
The canonical SMILES for 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one is [2H]C1CC2(CN1)C(=O)Nc1ccccc12.
What is the InChIKey of 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one?
The InChIKey is FQSHLSLQUHZOMV-RAMDWTOOSA-N. The full InChI is InChI=1S/C11H12N2O/c14-10-11(5-6-12-7-11)8-3-1-2-4-9(8)13-10/h1-4,12H,5-7H2,(H,13,14)/i6D.
What are the key properties of 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one?
2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one has a molecular weight of 189.24 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-deuteriospiro[1H-indole-3,4'-pyrrolidine]-2-one is sourced from PubChem (CID 175909573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).