2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile

C18H16N2O — CID 122655705

IUPAC2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
SMILESCCc1cc(-c2c(C)cccc2C#N)cc2c1NC(=O)C2
InChIInChI=1S/C18H16N2O/c1-3-12-7-14(8-15-9-16(21)20-18(12)15)17-11(2)5-4-6-13(17)10-19/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeySZNNTJQSYSIFRU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.59
Rot. Bonds2

About 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile

2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile (PubChem CID 122655705) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile.

Molecular Properties

Compound Name2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
PubChem CID122655705
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
SMILESCCc1cc(-c2c(C)cccc2C#N)cc2c1NC(=O)C2
InChIInChI=1S/C18H16N2O/c1-3-12-7-14(8-15-9-16(21)20-18(12)15)17-11(2)5-4-6-13(17)10-19/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeySZNNTJQSYSIFRU-UHFFFAOYSA-N
XLogP3.59
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile?
The IUPAC name of 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile (CID 122655705) is 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile.
What is the SMILES notation for 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile?
The canonical SMILES for 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile is CCc1cc(-c2c(C)cccc2C#N)cc2c1NC(=O)C2.
What is the InChIKey of 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile?
The InChIKey is SZNNTJQSYSIFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-12-7-14(8-15-9-16(21)20-18(12)15)17-11(2)5-4-6-13(17)10-19/h4-8H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile?
2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile is sourced from PubChem (CID 122655705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).