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

C12H15NO — CID 10888721

IUPAC1-(3,3-dimethyl-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9(14)13-8-12(2,3)10-6-4-5-7-11(10)13/h4-7H,8H2,1-3H3
InChIKeyPYWPWPPRAYOLIB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.33
Rot. Bonds

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

1-(3,3-dimethyl-2H-indol-1-yl)ethanone (PubChem CID 10888721) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-indol-1-yl)ethanone
PubChem CID10888721
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(3,3-dimethyl-2H-indol-1-yl)ethanone
SMILESCC(=O)N1CC(C)(C)c2ccccc21
InChIInChI=1S/C12H15NO/c1-9(14)13-8-12(2,3)10-6-4-5-7-11(10)13/h4-7H,8H2,1-3H3
InChIKeyPYWPWPPRAYOLIB-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-indol-1-yl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-2H-indol-1-yl)ethanone (CID 10888721) is 1-(3,3-dimethyl-2H-indol-1-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-2H-indol-1-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-2H-indol-1-yl)ethanone is CC(=O)N1CC(C)(C)c2ccccc21.
What is the InChIKey of 1-(3,3-dimethyl-2H-indol-1-yl)ethanone?
The InChIKey is PYWPWPPRAYOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)13-8-12(2,3)10-6-4-5-7-11(10)13/h4-7H,8H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-indol-1-yl)ethanone?
1-(3,3-dimethyl-2H-indol-1-yl)ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-indol-1-yl)ethanone is sourced from PubChem (CID 10888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).