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

C13H20N2O — CID 70591500

IUPAC3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCNCCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C13H20N2O/c1-9-3-4-10-5-8-15-13(10)12(9)11(16)6-7-14-2/h3-4,9,12,14-15H,5-8H2,1-2H3
InChIKeyJIUOVKYWWACDFZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds4

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

3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (PubChem CID 70591500) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
PubChem CID70591500
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
SMILESCNCCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C13H20N2O/c1-9-3-4-10-5-8-15-13(10)12(9)11(16)6-7-14-2/h3-4,9,12,14-15H,5-8H2,1-2H3
InChIKeyJIUOVKYWWACDFZ-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one (CID 70591500) is 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is CNCCC(=O)C1C2=C(C=CC1C)CCN2.
What is the InChIKey of 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
The InChIKey is JIUOVKYWWACDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-3-4-10-5-8-15-13(10)12(9)11(16)6-7-14-2/h3-4,9,12,14-15H,5-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one?
3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one is sourced from PubChem (CID 70591500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).