(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one

C22H24N2O — CID 134944208

IUPAC(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one
SMILESCc1ccc2c(c1)c(C)c(C)n2[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-15-9-10-20-19(13-15)16(2)17(3)24(20)21-11-12-22(25)23(21)14-18-7-5-4-6-8-18/h4-10,13,21H,11-12,14H2,1-3H3/t21-/m1/s1
InChIKeyBKHCWUKXGKPDRY-OAQYLSRUSA-N
MW332.45 g/mol
LogP4.89
Rot. Bonds3

About (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one

(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one (PubChem CID 134944208) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one
PubChem CID134944208
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one
SMILESCc1ccc2c(c1)c(C)c(C)n2[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O/c1-15-9-10-20-19(13-15)16(2)17(3)24(20)21-11-12-22(25)23(21)14-18-7-5-4-6-8-18/h4-10,13,21H,11-12,14H2,1-3H3/t21-/m1/s1
InChIKeyBKHCWUKXGKPDRY-OAQYLSRUSA-N
XLogP4.89
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one (CID 134944208) is (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one is Cc1ccc2c(c1)c(C)c(C)n2[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one?
The InChIKey is BKHCWUKXGKPDRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-9-10-20-19(13-15)16(2)17(3)24(20)21-11-12-22(25)23(21)14-18-7-5-4-6-8-18/h4-10,13,21H,11-12,14H2,1-3H3/t21-/m1/s1.
What are the key properties of (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one?
(5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-(2,3,5-trimethylindol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 134944208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).