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

C11H12N2O — CID 56940703

IUPAC(3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCNC2
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)/t11-/m1/s1
InChIKeyFQSHLSLQUHZOMV-LLVKDONJSA-N
MW188.23 g/mol
LogP0.87
Rot. Bonds

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

(3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 56940703) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID56940703
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2[C@]12CCNC2
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)/t11-/m1/s1
InChIKeyFQSHLSLQUHZOMV-LLVKDONJSA-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 ≤ 500188.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 56940703) is (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2[C@]12CCNC2.
What is the InChIKey of (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FQSHLSLQUHZOMV-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 188.23 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 (3S)-spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 56940703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).