5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one

C14H19NO — CID 134457828

IUPAC5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(C)(C)C)cc2c1NC(=O)C2
InChIInChI=1S/C14H19NO/c1-5-9-6-11(14(2,3)4)7-10-8-12(16)15-13(9)10/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyGHLVUIGIXOCORS-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.04
Rot. Bonds1

About 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one

5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one (PubChem CID 134457828) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
PubChem CID134457828
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(C(C)(C)C)cc2c1NC(=O)C2
InChIInChI=1S/C14H19NO/c1-5-9-6-11(14(2,3)4)7-10-8-12(16)15-13(9)10/h6-7H,5,8H2,1-4H3,(H,15,16)
InChIKeyGHLVUIGIXOCORS-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one
CID 159953490
5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
CID 82172898
7-ethyl-5-[hydroxy-(2-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82172917
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
2-(7-ethyl-2-oxo-1,3-dihydroindol-5-yl)-3-methylbenzonitrile
CID 122655705
5-amino-6-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 69465743
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
7-ethyl-5-(1-hydroxy-2-phenoxyethyl)-1,3-dihydroindol-2-one
CID 82172932
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one (CID 134457828) is 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one is CCc1cc(C(C)(C)C)cc2c1NC(=O)C2.
What is the InChIKey of 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one?
The InChIKey is GHLVUIGIXOCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-9-6-11(14(2,3)4)7-10-8-12(16)15-13(9)10/h6-7H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one?
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134457828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).