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

C19H17BrN2O — CID 101487876

IUPAC(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
SMILESO=C1CC[C@H](c2c[nH]c3ccc(Br)cc23)N1Cc1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-14-6-7-17-15(10-14)16(11-21-17)18-8-9-19(23)22(18)12-13-4-2-1-3-5-13/h1-7,10-11,18,21H,8-9,12H2/t18-/m1/s1
InChIKeyVCCJKDKBWDRVJC-GOSISDBHSA-N
MW369.26 g/mol
LogP4.79
Rot. Bonds3

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

(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 101487876) has the molecular formula C19H17BrN2O and a molecular weight of 369.26 g/mol. Its IUPAC name is (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
PubChem CID101487876
Molecular FormulaC19H17BrN2O
Molecular Weight369.26 g/mol
Exact Mass368.05
IUPAC Name(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
SMILESO=C1CC[C@H](c2c[nH]c3ccc(Br)cc23)N1Cc1ccccc1
InChIInChI=1S/C19H17BrN2O/c20-14-6-7-17-15(10-14)16(11-21-17)18-8-9-19(23)22(18)12-13-4-2-1-3-5-13/h1-7,10-11,18,21H,8-9,12H2/t18-/m1/s1
InChIKeyVCCJKDKBWDRVJC-GOSISDBHSA-N
XLogP4.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
CID 101487875
1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
CID 132537219
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
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
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
(5S)-5-(5-chloro-1H-indol-3-yl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 102198835
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
benzyl 2-(5-bromo-1H-indol-3-yl)-2-[(2R)-pyrrolidin-2-yl]acetate
CID 67692456
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one (CID 101487876) is (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one is O=C1CC[C@H](c2c[nH]c3ccc(Br)cc23)N1Cc1ccccc1.
What is the InChIKey of (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is VCCJKDKBWDRVJC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17BrN2O/c20-14-6-7-17-15(10-14)16(11-21-17)18-8-9-19(23)22(18)12-13-4-2-1-3-5-13/h1-7,10-11,18,21H,8-9,12H2/t18-/m1/s1.
What are the key properties of (5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one?
(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 369.26 g/mol, XLogP of 4.79, 3 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-bromo-1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 101487876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).