(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one

C21H20N2O — CID 101487875

IUPAC(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESC=Cc1ccc2[nH]cc([C@H]3CCC(=O)N3Cc3ccccc3)c2c1
InChIInChI=1S/C21H20N2O/c1-2-15-8-9-19-17(12-15)18(13-22-19)20-10-11-21(24)23(20)14-16-6-4-3-5-7-16/h2-9,12-13,20,22H,1,10-11,14H2/t20-/m1/s1
InChIKeyOGGYLSCHSGJIHO-HXUWFJFHSA-N
MW316.40 g/mol
LogP4.67
Rot. Bonds4

About (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one

(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 101487875) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
PubChem CID101487875
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
SMILESC=Cc1ccc2[nH]cc([C@H]3CCC(=O)N3Cc3ccccc3)c2c1
InChIInChI=1S/C21H20N2O/c1-2-15-8-9-19-17(12-15)18(13-22-19)20-10-11-21(24)23(20)14-16-6-4-3-5-7-16/h2-9,12-13,20,22H,1,10-11,14H2/t20-/m1/s1
InChIKeyOGGYLSCHSGJIHO-HXUWFJFHSA-N
XLogP4.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
CID 101487876
1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
CID 132537219
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
CID 10518687
(5S)-5-(5-chloro-1H-indol-3-yl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 102198835
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]pyrrolidin-2-one
CID 132510405
6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175944098
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one (CID 101487875) is (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one is C=Cc1ccc2[nH]cc([C@H]3CCC(=O)N3Cc3ccccc3)c2c1.
What is the InChIKey of (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is OGGYLSCHSGJIHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-15-8-9-19-17(12-15)18(13-22-19)20-10-11-21(24)23(20)14-16-6-4-3-5-7-16/h2-9,12-13,20,22H,1,10-11,14H2/t20-/m1/s1.
What are the key properties of (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one?
(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 101487875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).