3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one

C12H16N2O — CID 152743277

IUPAC3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one
SMILESCN(C)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyRUJQGIFGXASHFB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.06
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one

3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one (PubChem CID 152743277) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one
PubChem CID152743277
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one
SMILESCN(C)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,12-13H,6-7H2,1-2H3
InChIKeyRUJQGIFGXASHFB-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one (CID 152743277) is 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one is CN(C)CCC1=CNC2=CC=CC(=O)C12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one?
The InChIKey is RUJQGIFGXASHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,12-13H,6-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one?
3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one has a molecular weight of 204.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,3a-dihydroindol-4-one is sourced from PubChem (CID 152743277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).