4-ethyl-1,3,4,5-tetrahydroindol-2-one

C10H13NO — CID 118687162

IUPAC4-ethyl-1,3,4,5-tetrahydroindol-2-one
SMILESCCC1CC=CC2=C1CC(=O)N2
InChIInChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3,5,7H,2,4,6H2,1H3,(H,11,12)
InChIKeySLEZMSMYVAVSOH-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds1

About 4-ethyl-1,3,4,5-tetrahydroindol-2-one

4-ethyl-1,3,4,5-tetrahydroindol-2-one (PubChem CID 118687162) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethyl-1,3,4,5-tetrahydroindol-2-one.

Molecular Properties

Compound Name4-ethyl-1,3,4,5-tetrahydroindol-2-one
PubChem CID118687162
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-ethyl-1,3,4,5-tetrahydroindol-2-one
SMILESCCC1CC=CC2=C1CC(=O)N2
InChIInChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3,5,7H,2,4,6H2,1H3,(H,11,12)
InChIKeySLEZMSMYVAVSOH-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,4,5-tetrahydroindol-2-one?
The IUPAC name of 4-ethyl-1,3,4,5-tetrahydroindol-2-one (CID 118687162) is 4-ethyl-1,3,4,5-tetrahydroindol-2-one.
What is the SMILES notation for 4-ethyl-1,3,4,5-tetrahydroindol-2-one?
The canonical SMILES for 4-ethyl-1,3,4,5-tetrahydroindol-2-one is CCC1CC=CC2=C1CC(=O)N2.
What is the InChIKey of 4-ethyl-1,3,4,5-tetrahydroindol-2-one?
The InChIKey is SLEZMSMYVAVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3,5,7H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 4-ethyl-1,3,4,5-tetrahydroindol-2-one?
4-ethyl-1,3,4,5-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 4-ethyl-1,3,4,5-tetrahydroindol-2-one is sourced from PubChem (CID 118687162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).