2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone

C17H16N2O — CID 4214693

IUPAC2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone
SMILESCC1(C)C(CC(=O)c2ccncc2)=Nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-17(2)13-5-3-4-6-14(13)19-16(17)11-15(20)12-7-9-18-10-8-12/h3-10H,11H2,1-2H3
InChIKeyZOXXHJNYBMFZQE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.72
Rot. Bonds3

About 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone

2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone (PubChem CID 4214693) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone
PubChem CID4214693
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone
SMILESCC1(C)C(CC(=O)c2ccncc2)=Nc2ccccc21
InChIInChI=1S/C17H16N2O/c1-17(2)13-5-3-4-6-14(13)19-16(17)11-15(20)12-7-9-18-10-8-12/h3-10H,11H2,1-2H3
InChIKeyZOXXHJNYBMFZQE-UHFFFAOYSA-N
XLogP3.72
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone (CID 4214693) is 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone is CC1(C)C(CC(=O)c2ccncc2)=Nc2ccccc21.
What is the InChIKey of 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone?
The InChIKey is ZOXXHJNYBMFZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-17(2)13-5-3-4-6-14(13)19-16(17)11-15(20)12-7-9-18-10-8-12/h3-10H,11H2,1-2H3.
What are the key properties of 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone?
2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone has a molecular weight of 264.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylindol-2-yl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 4214693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).