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

C12H15NO — CID 15153221

IUPAC3,3-diethyl-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2ccccc21
InChIInChI=1S/C12H15NO/c1-3-12(4-2)9-7-5-6-8-10(9)13-11(12)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyJOAHCWIICCHHOU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.70
Rot. Bonds2

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

3,3-diethyl-1H-indol-2-one (PubChem CID 15153221) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,3-diethyl-1H-indol-2-one.

Molecular Properties

Compound Name3,3-diethyl-1H-indol-2-one
PubChem CID15153221
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,3-diethyl-1H-indol-2-one
SMILESCCC1(CC)C(=O)Nc2ccccc21
InChIInChI=1S/C12H15NO/c1-3-12(4-2)9-7-5-6-8-10(9)13-11(12)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyJOAHCWIICCHHOU-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-diethyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1H-indol-2-one?
The IUPAC name of 3,3-diethyl-1H-indol-2-one (CID 15153221) is 3,3-diethyl-1H-indol-2-one.
What is the SMILES notation for 3,3-diethyl-1H-indol-2-one?
The canonical SMILES for 3,3-diethyl-1H-indol-2-one is CCC1(CC)C(=O)Nc2ccccc21.
What is the InChIKey of 3,3-diethyl-1H-indol-2-one?
The InChIKey is JOAHCWIICCHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(4-2)9-7-5-6-8-10(9)13-11(12)14/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3,3-diethyl-1H-indol-2-one?
3,3-diethyl-1H-indol-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1H-indol-2-one is sourced from PubChem (CID 15153221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).