5,6-diethoxy-1,3-dihydroindol-2-one

C12H15NO3 — CID 22668692

IUPAC5,6-diethoxy-1,3-dihydroindol-2-one
SMILESCCOc1cc2c(cc1OCC)NC(=O)C2
InChIInChI=1S/C12H15NO3/c1-3-15-10-5-8-6-12(14)13-9(8)7-11(10)16-4-2/h5,7H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyINAZVBUXWHICRP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.98
Rot. Bonds4

About 5,6-diethoxy-1,3-dihydroindol-2-one

5,6-diethoxy-1,3-dihydroindol-2-one (PubChem CID 22668692) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5,6-diethoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5,6-diethoxy-1,3-dihydroindol-2-one
PubChem CID22668692
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name5,6-diethoxy-1,3-dihydroindol-2-one
SMILESCCOc1cc2c(cc1OCC)NC(=O)C2
InChIInChI=1S/C12H15NO3/c1-3-15-10-5-8-6-12(14)13-9(8)7-11(10)16-4-2/h5,7H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyINAZVBUXWHICRP-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetic acid
CID 46786283
6-bromo-7-ethoxy-3,4-dihydro-1H-quinolin-2-one
CID 66560026
5,6,12,13,19,20-hexaethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 4918984
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
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CID 70501624
5-amino-6-(cyclopentylmethoxy)-1,3-dihydroindol-2-one
CID 66323000
5-ethyl-6-fluoro-1,3-dihydroindol-2-one
CID 70647760
5-ethyl-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
CID 130380646
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768181
4,14,19,24,29,34,36,38,40,42,44,48-dodecaethoxyoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetraconta-1(36),3(49),4,6(48),8(47),10,13,15,18,20,23,25,28(39),29,31(38),33(37),34,40,42,44-icosaene-9,46-dione
CID 177484496

Frequently Asked Questions

What is the IUPAC name of 5,6-diethoxy-1,3-dihydroindol-2-one?
The IUPAC name of 5,6-diethoxy-1,3-dihydroindol-2-one (CID 22668692) is 5,6-diethoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5,6-diethoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5,6-diethoxy-1,3-dihydroindol-2-one is CCOc1cc2c(cc1OCC)NC(=O)C2.
What is the InChIKey of 5,6-diethoxy-1,3-dihydroindol-2-one?
The InChIKey is INAZVBUXWHICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-15-10-5-8-6-12(14)13-9(8)7-11(10)16-4-2/h5,7H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 5,6-diethoxy-1,3-dihydroindol-2-one?
5,6-diethoxy-1,3-dihydroindol-2-one has a molecular weight of 221.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 22668692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).