1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C16H13F3N2O2 — CID 2082431

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCc2ccccc21
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-6-14(22)20(9-12)10-15(23)21-8-7-11-3-1-2-4-13(11)21/h1-6,9H,7-8,10H2
InChIKeyBWGXPHSGROWMPK-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.46
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 2082431) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID2082431
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCc2ccccc21
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-6-14(22)20(9-12)10-15(23)21-8-7-11-3-1-2-4-13(11)21/h1-6,9H,7-8,10H2
InChIKeyBWGXPHSGROWMPK-UHFFFAOYSA-N
XLogP2.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 2082431) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is BWGXPHSGROWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-6-14(22)20(9-12)10-15(23)21-8-7-11-3-1-2-4-13(11)21/h1-6,9H,7-8,10H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 322.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2082431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).