(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

C18H15BrN2O2 — CID 1289741

IUPAC(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3/t18-/m0/s1
InChIKeyDIGOTGCFXABMLN-SFHVURJKSA-N
MW371.23 g/mol
LogP3.53
Rot. Bonds2

About (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one

(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (PubChem CID 1289741) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
PubChem CID1289741
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
SMILESCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21
InChIInChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3/t18-/m0/s1
InChIKeyDIGOTGCFXABMLN-SFHVURJKSA-N
XLogP3.53
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 41145231
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-[(4-methylphenyl)methyl]indol-2-one
CID 3708416
5-bromo-3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1-(2-phenylethyl)indol-2-one
CID 3751014
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
(3S)-5-chloro-1-ethyl-3-hydroxy-3-(2-methyl-1H-indol-3-yl)indol-2-one
CID 7379583
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
5-bromo-1-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 17077572
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
5-bromo-1-(hydroxymethyl)-3,3-dimethylindol-2-one
CID 58031734

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The IUPAC name of (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one (CID 1289741) is (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one.
What is the SMILES notation for (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The canonical SMILES for (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is CCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
The InChIKey is DIGOTGCFXABMLN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-2-21-16-8-7-11(19)9-13(16)18(23,17(21)22)14-10-20-15-6-4-3-5-12(14)15/h3-10,20,23H,2H2,1H3/t18-/m0/s1.
What are the key properties of (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one?
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one has a molecular weight of 371.23 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one is sourced from PubChem (CID 1289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).