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

C11H13NO2 — CID 26342865

IUPAC(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](CCO)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-12-10-5-3-2-4-8(10)9(6-7-13)11(12)14/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
InChIKeyFOXNLRAZZFUVLD-SECBINFHSA-N
MW191.23 g/mol
LogP1.13
Rot. Bonds2

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

(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one (PubChem CID 26342865) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
PubChem CID26342865
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)[C@H](CCO)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-12-10-5-3-2-4-8(10)9(6-7-13)11(12)14/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1
InChIKeyFOXNLRAZZFUVLD-SECBINFHSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
CID 6954862
3-(1-methyl-2-oxo-3H-indol-3-yl)propanoic acid
CID 14956191
(3R)-3-ethyl-1-methyl-3H-indol-2-one
CID 51382688
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
1-methyl-3-prop-2-ynyl-3H-indol-2-one
CID 141131768
3-(2-hydroxyethylamino)-1-methyl-3H-indol-2-one
CID 82236769
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-methyl-3H-indol-2-one
CID 821679
3-(3-hydroxypropylamino)-1-methyl-3H-indol-2-one
CID 82238882
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
1-methyl-3-(2-methyl-4-oxopentan-2-yl)-3H-indol-2-one
CID 12015253

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one (CID 26342865) is (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one is CN1C(=O)[C@H](CCO)c2ccccc21.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one?
The InChIKey is FOXNLRAZZFUVLD-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-10-5-3-2-4-8(10)9(6-7-13)11(12)14/h2-5,9,13H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one?
(3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 26342865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).