3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one

C13H20N2O — CID 70594756

IUPAC3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C13H20N2O/c1-15(2)9-7-12(16)11-5-3-4-10-6-8-14-13(10)11/h3-4,11,14H,5-9H2,1-2H3
InChIKeyRYXVKFNCPJHDPB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds4

About 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one

3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (PubChem CID 70594756) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
PubChem CID70594756
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCN(C)CCC(=O)C1CC=CC2=C1NCC2
InChIInChI=1S/C13H20N2O/c1-15(2)9-7-12(16)11-5-3-4-10-6-8-14-13(10)11/h3-4,11,14H,5-9H2,1-2H3
InChIKeyRYXVKFNCPJHDPB-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (CID 70594756) is 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is CN(C)CCC(=O)C1CC=CC2=C1NCC2.
What is the InChIKey of 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The InChIKey is RYXVKFNCPJHDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)9-7-12(16)11-5-3-4-10-6-8-14-13(10)11/h3-4,11,14H,5-9H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is sourced from PubChem (CID 70594756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).