5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one

C11H13NO2 — CID 82758338

IUPAC5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
SMILESC[C@@H](O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(5-8)6-11(14)12(10)2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyFUDGZJWBDMJYAA-SSDOTTSWSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds1

About 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one

5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one (PubChem CID 82758338) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
PubChem CID82758338
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
SMILESC[C@@H](O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(5-8)6-11(14)12(10)2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyFUDGZJWBDMJYAA-SSDOTTSWSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one (CID 82758338) is 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one is C[C@@H](O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The InChIKey is FUDGZJWBDMJYAA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(13)8-3-4-10-9(5-8)6-11(14)12(10)2/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82758338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).