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

C17H13BrN2O2 — CID 53383525

IUPAC(3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one
SMILESCn1cc([C@]2(O)C(=O)Nc3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C17H13BrN2O2/c1-20-9-13(11-4-2-3-5-15(11)20)17(22)12-8-10(18)6-7-14(12)19-16(17)21/h2-9,22H,1H3,(H,19,21)/t17-/m0/s1
InChIKeyGRTPIDLOSFCSRU-KRWDZBQOSA-N
MW357.21 g/mol
LogP3.13
Rot. Bonds1

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

(3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one (PubChem CID 53383525) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one
PubChem CID53383525
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name(3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one
SMILESCn1cc([C@]2(O)C(=O)Nc3ccc(Br)cc32)c2ccccc21
InChIInChI=1S/C17H13BrN2O2/c1-20-9-13(11-4-2-3-5-15(11)20)17(22)12-8-10(18)6-7-14(12)19-16(17)21/h2-9,22H,1H3,(H,19,21)/t17-/m0/s1
InChIKeyGRTPIDLOSFCSRU-KRWDZBQOSA-N
XLogP3.13
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one (CID 53383525) is (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one is Cn1cc([C@]2(O)C(=O)Nc3ccc(Br)cc32)c2ccccc21.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one?
The InChIKey is GRTPIDLOSFCSRU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-20-9-13(11-4-2-3-5-15(11)20)17(22)12-8-10(18)6-7-14(12)19-16(17)21/h2-9,22H,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one?
(3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one has a molecular weight of 357.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-3-(1-methylindol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 53383525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).