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

C14H19NO — CID 106987056

IUPAC5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H19NO/c1-5-10-11-8-9(14(2,3)4)6-7-12(11)15-13(10)16/h6-8,10H,5H2,1-4H3,(H,15,16)
InChIKeyHFDNJMFBEZLZPA-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.43
Rot. Bonds1

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

5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one (PubChem CID 106987056) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
PubChem CID106987056
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H19NO/c1-5-10-11-8-9(14(2,3)4)6-7-12(11)15-13(10)16/h6-8,10H,5H2,1-4H3,(H,15,16)
InChIKeyHFDNJMFBEZLZPA-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-propyl-1,3-dihydroindol-2-one
CID 106986527
6-tert-butyl-3-ethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84627180
3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
CID 75480418
3-ethyl-5-(1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 82172222
3-ethyl-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 82172223
6-tert-butyl-4-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84627501
7-ethyl-2-sulfanyl-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 88522570
3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
CID 70456027
3-butyl-5-methoxy-1,3-dihydroindol-2-one
CID 103846259
3-(2-methylpentan-3-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 106986831
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one (CID 106987056) is 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one?
The InChIKey is HFDNJMFBEZLZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-5-10-11-8-9(14(2,3)4)6-7-12(11)15-13(10)16/h6-8,10H,5H2,1-4H3,(H,15,16).
What are the key properties of 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one?
5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one has a molecular weight of 217.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).