1-(3,3-dimethylindol-2-yl)ethanone

C12H13NO — CID 2752622

IUPAC1-(3,3-dimethylindol-2-yl)ethanone
SMILESCC(=O)C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H13NO/c1-8(14)11-12(2,3)9-6-4-5-7-10(9)13-11/h4-7H,1-3H3
InChIKeyXGYVLKGERYYCHD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.64
Rot. Bonds1

About 1-(3,3-dimethylindol-2-yl)ethanone

1-(3,3-dimethylindol-2-yl)ethanone (PubChem CID 2752622) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(3,3-dimethylindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylindol-2-yl)ethanone
PubChem CID2752622
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(3,3-dimethylindol-2-yl)ethanone
SMILESCC(=O)C1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H13NO/c1-8(14)11-12(2,3)9-6-4-5-7-10(9)13-11/h4-7H,1-3H3
InChIKeyXGYVLKGERYYCHD-UHFFFAOYSA-N
XLogP2.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylindol-2-yl)ethanone?
The IUPAC name of 1-(3,3-dimethylindol-2-yl)ethanone (CID 2752622) is 1-(3,3-dimethylindol-2-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethylindol-2-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethylindol-2-yl)ethanone is CC(=O)C1=Nc2ccccc2C1(C)C.
What is the InChIKey of 1-(3,3-dimethylindol-2-yl)ethanone?
The InChIKey is XGYVLKGERYYCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(14)11-12(2,3)9-6-4-5-7-10(9)13-11/h4-7H,1-3H3.
What are the key properties of 1-(3,3-dimethylindol-2-yl)ethanone?
1-(3,3-dimethylindol-2-yl)ethanone has a molecular weight of 187.24 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylindol-2-yl)ethanone is sourced from PubChem (CID 2752622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).