6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one

C14H19NO2 — CID 159500638

IUPAC6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one
SMILESCCc1ccc2c(c1)N(C(C)O)C(=O)C2(C)C
InChIInChI=1S/C14H19NO2/c1-5-10-6-7-11-12(8-10)15(9(2)16)13(17)14(11,3)4/h6-9,16H,5H2,1-4H3
InChIKeyIXWICPONPMBESM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds2

About 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one

6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one (PubChem CID 159500638) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one
PubChem CID159500638
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one
SMILESCCc1ccc2c(c1)N(C(C)O)C(=O)C2(C)C
InChIInChI=1S/C14H19NO2/c1-5-10-6-7-11-12(8-10)15(9(2)16)13(17)14(11,3)4/h6-9,16H,5H2,1-4H3
InChIKeyIXWICPONPMBESM-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The IUPAC name of 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one (CID 159500638) is 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one is CCc1ccc2c(c1)N(C(C)O)C(=O)C2(C)C.
What is the InChIKey of 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
The InChIKey is IXWICPONPMBESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-10-6-7-11-12(8-10)15(9(2)16)13(17)14(11,3)4/h6-9,16H,5H2,1-4H3.
What are the key properties of 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one?
6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 159500638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).