1-(2,6-dimethyl-1H-indol-3-yl)ethanone

C12H13NO — CID 51342127

IUPAC1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO/c1-7-4-5-10-11(6-7)13-8(2)12(10)9(3)14/h4-6,13H,1-3H3
InChIKeyURQFZAQYZPSEPC-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.99
Rot. Bonds1

About 1-(2,6-dimethyl-1H-indol-3-yl)ethanone

1-(2,6-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 51342127) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2,6-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-1H-indol-3-yl)ethanone
PubChem CID51342127
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO/c1-7-4-5-10-11(6-7)13-8(2)12(10)9(3)14/h4-6,13H,1-3H3
InChIKeyURQFZAQYZPSEPC-UHFFFAOYSA-N
XLogP2.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
CID 139093839
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 3539182
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
3-acetyl-6-iodo-2-methyl-1H-quinolin-4-one
CID 171365735
6-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 82402312
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-1H-indol-3-yl)ethanone (CID 51342127) is 1-(2,6-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-1H-indol-3-yl)ethanone is CC(=O)c1c(C)[nH]c2cc(C)ccc12.
What is the InChIKey of 1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is URQFZAQYZPSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-7-4-5-10-11(6-7)13-8(2)12(10)9(3)14/h4-6,13H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
1-(2,6-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 51342127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).