(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one

C12H15NO2 — CID 86313571

IUPAC(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one
SMILESCCOc1ccc2c(c1)[C@@H](C)C(=O)N2C
InChIInChI=1S/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3/t8-/m1/s1
InChIKeyJMRWLRFPUMZEGA-MRVPVSSYSA-N
MW205.26 g/mol
LogP2.17
Rot. Bonds2

About (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one

(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one (PubChem CID 86313571) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one
PubChem CID86313571
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one
SMILESCCOc1ccc2c(c1)[C@@H](C)C(=O)N2C
InChIInChI=1S/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3/t8-/m1/s1
InChIKeyJMRWLRFPUMZEGA-MRVPVSSYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one?
The IUPAC name of (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one (CID 86313571) is (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one.
What is the SMILES notation for (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one?
The canonical SMILES for (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one is CCOc1ccc2c(c1)[C@@H](C)C(=O)N2C.
What is the InChIKey of (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one?
The InChIKey is JMRWLRFPUMZEGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-15-9-5-6-11-10(7-9)8(2)12(14)13(11)3/h5-8H,4H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one?
(3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethoxy-1,3-dimethyl-3H-indol-2-one is sourced from PubChem (CID 86313571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).