3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one

C18H16N2O — CID 53348525

IUPAC3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
SMILESCCC1(c2c[nH]c3ccccc23)NC(=O)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-2-18(14-9-5-3-8-13(14)17(21)20-18)15-11-19-16-10-6-4-7-12(15)16/h3-11,19H,2H2,1H3,(H,20,21)
InChIKeySORZKUMXOHYXTE-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.56
Rot. Bonds2

About 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one

3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one (PubChem CID 53348525) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one.

Molecular Properties

Compound Name3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
PubChem CID53348525
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
SMILESCCC1(c2c[nH]c3ccccc23)NC(=O)c2ccccc21
InChIInChI=1S/C18H16N2O/c1-2-18(14-9-5-3-8-13(14)17(21)20-18)15-11-19-16-10-6-4-7-12(15)16/h3-11,19H,2H2,1H3,(H,20,21)
InChIKeySORZKUMXOHYXTE-UHFFFAOYSA-N
XLogP3.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one?
The IUPAC name of 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one (CID 53348525) is 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one.
What is the SMILES notation for 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one?
The canonical SMILES for 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one is CCC1(c2c[nH]c3ccccc23)NC(=O)c2ccccc21.
What is the InChIKey of 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one?
The InChIKey is SORZKUMXOHYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-18(14-9-5-3-8-13(14)17(21)20-18)15-11-19-16-10-6-4-7-12(15)16/h3-11,19H,2H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one?
3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one is sourced from PubChem (CID 53348525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).