2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone

C13H16N2O — CID 804946

IUPAC2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN(C)C
InChIInChI=1S/C13H16N2O/c1-9-13(12(16)8-15(2)3)10-6-4-5-7-11(10)14-9/h4-7,14H,8H2,1-3H3
InChIKeyHTPWNCFSBKSYEQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.22
Rot. Bonds3

About 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 804946) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID804946
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN(C)C
InChIInChI=1S/C13H16N2O/c1-9-13(12(16)8-15(2)3)10-6-4-5-7-11(10)14-9/h4-7,14H,8H2,1-3H3
InChIKeyHTPWNCFSBKSYEQ-UHFFFAOYSA-N
XLogP2.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
CID 170645728
CID 170645728
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 804946) is 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is HTPWNCFSBKSYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-13(12(16)8-15(2)3)10-6-4-5-7-11(10)14-9/h4-7,14H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 804946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).