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

C9H9NO2 — CID 820545

IUPAC(3R)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](O)c2ccccc21
InChIInChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3/t8-/m1/s1
InChIKeyKNLWAPGJCIOBDC-MRVPVSSYSA-N
MW163.18 g/mol
LogP0.70
Rot. Bonds

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

(3R)-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 820545) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID820545
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(3R)-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](O)c2ccccc21
InChIInChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3/t8-/m1/s1
InChIKeyKNLWAPGJCIOBDC-MRVPVSSYSA-N
XLogP0.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3H-indol-2-one (CID 820545) is (3R)-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)[C@H](O)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is KNLWAPGJCIOBDC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3H-indol-2-one?
(3R)-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 820545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).