3,3-diethyl-4-hydroxy-1H-indol-2-one

C12H15NO2 — CID 130014795

IUPAC3,3-diethyl-4-hydroxy-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2cccc(O)c21
InChIInChI=1S/C12H15NO2/c1-3-12(4-2)10-8(13-11(12)15)6-5-7-9(10)14/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyUZBWAHFHSVEJKD-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.40
Rot. Bonds2

About 3,3-diethyl-4-hydroxy-1H-indol-2-one

3,3-diethyl-4-hydroxy-1H-indol-2-one (PubChem CID 130014795) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3,3-diethyl-4-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3,3-diethyl-4-hydroxy-1H-indol-2-one
PubChem CID130014795
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3,3-diethyl-4-hydroxy-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2cccc(O)c21
InChIInChI=1S/C12H15NO2/c1-3-12(4-2)10-8(13-11(12)15)6-5-7-9(10)14/h5-7,14H,3-4H2,1-2H3,(H,13,15)
InChIKeyUZBWAHFHSVEJKD-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-4-hydroxy-1H-indol-2-one?
The IUPAC name of 3,3-diethyl-4-hydroxy-1H-indol-2-one (CID 130014795) is 3,3-diethyl-4-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3,3-diethyl-4-hydroxy-1H-indol-2-one?
The canonical SMILES for 3,3-diethyl-4-hydroxy-1H-indol-2-one is CCC1(CC)C(=O)Nc2cccc(O)c21.
What is the InChIKey of 3,3-diethyl-4-hydroxy-1H-indol-2-one?
The InChIKey is UZBWAHFHSVEJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-12(4-2)10-8(13-11(12)15)6-5-7-9(10)14/h5-7,14H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3,3-diethyl-4-hydroxy-1H-indol-2-one?
3,3-diethyl-4-hydroxy-1H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-4-hydroxy-1H-indol-2-one is sourced from PubChem (CID 130014795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).