(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one

C9H8ClNO2 — CID 124705861

IUPAC(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](O)c2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13/h2-4,8,12H,1H3/t8-/m1/s1
InChIKeyBAOVZPJULCKRJV-MRVPVSSYSA-N
MW197.62 g/mol
LogP1.35
Rot. Bonds

About (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one

(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 124705861) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID124705861
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](O)c2ccc(Cl)cc21
InChIInChI=1S/C9H8ClNO2/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13/h2-4,8,12H,1H3/t8-/m1/s1
InChIKeyBAOVZPJULCKRJV-MRVPVSSYSA-N
XLogP1.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one (CID 124705861) is (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)[C@H](O)c2ccc(Cl)cc21.
What is the InChIKey of (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is BAOVZPJULCKRJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-11-7-4-5(10)2-3-6(7)8(12)9(11)13/h2-4,8,12H,1H3/t8-/m1/s1.
What are the key properties of (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one?
(3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 124705861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).