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

C14H17NO2 — CID 135066750

IUPAC1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)N(C(C)=O)CC2(C)C
InChIInChI=1S/C14H17NO2/c1-9(16)11-5-6-12-13(7-11)15(10(2)17)8-14(12,3)4/h5-7H,8H2,1-4H3
InChIKeyXWWBUUCAXLICQX-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.53
Rot. Bonds1

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

1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone (PubChem CID 135066750) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone
PubChem CID135066750
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)N(C(C)=O)CC2(C)C
InChIInChI=1S/C14H17NO2/c1-9(16)11-5-6-12-13(7-11)15(10(2)17)8-14(12,3)4/h5-7H,8H2,1-4H3
InChIKeyXWWBUUCAXLICQX-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone?
The IUPAC name of 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone (CID 135066750) is 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone is CC(=O)c1ccc2c(c1)N(C(C)=O)CC2(C)C.
What is the InChIKey of 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone?
The InChIKey is XWWBUUCAXLICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(16)11-5-6-12-13(7-11)15(10(2)17)8-14(12,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone?
1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone is sourced from PubChem (CID 135066750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).