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

C12H18N2O — CID 70591214

IUPAC2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCNCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C12H18N2O/c1-8-3-4-9-5-6-14-12(9)11(8)10(15)7-13-2/h3-4,8,11,13-14H,5-7H2,1-2H3
InChIKeyZUTNMFQUFFRVGJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.84
Rot. Bonds3

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

2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (PubChem CID 70591214) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
PubChem CID70591214
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone
SMILESCNCC(=O)C1C2=C(C=CC1C)CCN2
InChIInChI=1S/C12H18N2O/c1-8-3-4-9-5-6-14-12(9)11(8)10(15)7-13-2/h3-4,8,11,13-14H,5-7H2,1-2H3
InChIKeyZUTNMFQUFFRVGJ-UHFFFAOYSA-N
XLogP0.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone (CID 70591214) is 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is CNCC(=O)C1C2=C(C=CC1C)CCN2.
What is the InChIKey of 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
The InChIKey is ZUTNMFQUFFRVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-3-4-9-5-6-14-12(9)11(8)10(15)7-13-2/h3-4,8,11,13-14H,5-7H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone?
2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)ethanone is sourced from PubChem (CID 70591214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).