(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one

C22H26N2O2 — CID 134852988

IUPAC(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)C[C@H]1NCC[C@@]12C(=O)N(Cc1ccccc1)c1cc(O)ccc12
InChIInChI=1S/C22H26N2O2/c1-15(2)12-20-22(10-11-23-20)18-9-8-17(25)13-19(18)24(21(22)26)14-16-6-4-3-5-7-16/h3-9,13,15,20,23,25H,10-12,14H2,1-2H3/t20-,22+/m1/s1
InChIKeyBXMMQBQMBOCTMW-IRLDBZIGSA-N
MW350.46 g/mol
LogP3.58
Rot. Bonds4

About (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one

(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134852988) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134852988
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)C[C@H]1NCC[C@@]12C(=O)N(Cc1ccccc1)c1cc(O)ccc12
InChIInChI=1S/C22H26N2O2/c1-15(2)12-20-22(10-11-23-20)18-9-8-17(25)13-19(18)24(21(22)26)14-16-6-4-3-5-7-16/h3-9,13,15,20,23,25H,10-12,14H2,1-2H3/t20-,22+/m1/s1
InChIKeyBXMMQBQMBOCTMW-IRLDBZIGSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 134852988) is (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)C[C@H]1NCC[C@@]12C(=O)N(Cc1ccccc1)c1cc(O)ccc12.
What is the InChIKey of (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is BXMMQBQMBOCTMW-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)12-20-22(10-11-23-20)18-9-8-17(25)13-19(18)24(21(22)26)14-16-6-4-3-5-7-16/h3-9,13,15,20,23,25H,10-12,14H2,1-2H3/t20-,22+/m1/s1.
What are the key properties of (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one?
(2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S)-1-benzyl-6-hydroxy-2'-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134852988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).