4-(2,3-dihydroindol-1-yl)butan-2-one

C12H15NO — CID 583400

IUPAC4-(2,3-dihydroindol-1-yl)butan-2-one
SMILESCC(=O)CCN1CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-10(14)6-8-13-9-7-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyHXRATLYETUIMSZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)butan-2-one

4-(2,3-dihydroindol-1-yl)butan-2-one (PubChem CID 583400) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)butan-2-one
PubChem CID583400
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2,3-dihydroindol-1-yl)butan-2-one
SMILESCC(=O)CCN1CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-10(14)6-8-13-9-7-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3
InChIKeyHXRATLYETUIMSZ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydroindol-1-yl)butan-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 4-(2,3-dihydroindol-1-yl)butan-2-one?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)butan-2-one (CID 583400) is 4-(2,3-dihydroindol-1-yl)butan-2-one.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)butan-2-one?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)butan-2-one is CC(=O)CCN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)butan-2-one?
The InChIKey is HXRATLYETUIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(14)6-8-13-9-7-11-4-2-3-5-12(11)13/h2-5H,6-9H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)butan-2-one?
4-(2,3-dihydroindol-1-yl)butan-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)butan-2-one is sourced from PubChem (CID 583400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).