5-ethyl-1,3,5,6-tetrahydroindol-2-one

C10H13NO — CID 70224380

IUPAC5-ethyl-1,3,5,6-tetrahydroindol-2-one
SMILESCCC1C=C2CC(=O)NC2=CC1
InChIInChI=1S/C10H13NO/c1-2-7-3-4-9-8(5-7)6-10(12)11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyMKQVGTTUSWOAQX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds1

About 5-ethyl-1,3,5,6-tetrahydroindol-2-one

5-ethyl-1,3,5,6-tetrahydroindol-2-one (PubChem CID 70224380) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethyl-1,3,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Name5-ethyl-1,3,5,6-tetrahydroindol-2-one
PubChem CID70224380
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name5-ethyl-1,3,5,6-tetrahydroindol-2-one
SMILESCCC1C=C2CC(=O)NC2=CC1
InChIInChI=1S/C10H13NO/c1-2-7-3-4-9-8(5-7)6-10(12)11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12)
InChIKeyMKQVGTTUSWOAQX-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroindolone
CID 21615589
5-Fluoro-1,3,3a,4-tetrahydroindol-2-one
CID 129273747
4-Fluoro-1,3,3a,4-tetrahydroindol-2-one
CID 140157495
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
CID 145414261
6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
CID 145486992
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
CID 145414262
3,4-dimethyl-3,6-dihydro-1H-indole-2,5-dione
CID 18358049
3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 21615586
6-methyl-3,5-dihydro-1H-indol-5-id-2-one;yttrium
CID 57566098
3-propan-2-yl-3,3a-dihydro-1H-cyclopenta[b]pyrrol-2-one
CID 59149181
6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium
CID 59703576
5-methyl-3,6-dihydro-1H-indol-6-id-2-one;yttrium
CID 59979534

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,5,6-tetrahydroindol-2-one?
The IUPAC name of 5-ethyl-1,3,5,6-tetrahydroindol-2-one (CID 70224380) is 5-ethyl-1,3,5,6-tetrahydroindol-2-one.
What is the SMILES notation for 5-ethyl-1,3,5,6-tetrahydroindol-2-one?
The canonical SMILES for 5-ethyl-1,3,5,6-tetrahydroindol-2-one is CCC1C=C2CC(=O)NC2=CC1.
What is the InChIKey of 5-ethyl-1,3,5,6-tetrahydroindol-2-one?
The InChIKey is MKQVGTTUSWOAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-3-4-9-8(5-7)6-10(12)11-9/h4-5,7H,2-3,6H2,1H3,(H,11,12).
What are the key properties of 5-ethyl-1,3,5,6-tetrahydroindol-2-one?
5-ethyl-1,3,5,6-tetrahydroindol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 70224380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).