3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one

C12H18N2O — CID 169438856

IUPAC3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCN(C)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C12H18N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h8,13H,3-7H2,1-2H3
InChIKeyJTELXTOBFAEZKN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.64
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one

3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 169438856) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID169438856
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one
SMILESCN(C)CCc1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C12H18N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h8,13H,3-7H2,1-2H3
InChIKeyJTELXTOBFAEZKN-UHFFFAOYSA-N
XLogP1.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one (CID 169438856) is 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one is CN(C)CCc1c[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is JTELXTOBFAEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h8,13H,3-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one?
3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 169438856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).