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

C10H13NO — CID 67559825

IUPAC4-ethyl-1,3,3a,4-tetrahydroindol-2-one
SMILESCCC1C=CC=C2NC(=O)CC21
InChIInChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeySLIZUQQSKLIYTG-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.60
Rot. Bonds1

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

4-ethyl-1,3,3a,4-tetrahydroindol-2-one (PubChem CID 67559825) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-ethyl-1,3,3a,4-tetrahydroindol-2-one.

Molecular Properties

Compound Name4-ethyl-1,3,3a,4-tetrahydroindol-2-one
PubChem CID67559825
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-ethyl-1,3,3a,4-tetrahydroindol-2-one
SMILESCCC1C=CC=C2NC(=O)CC21
InChIInChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3-5,7-8H,2,6H2,1H3,(H,11,12)
InChIKeySLIZUQQSKLIYTG-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,3a,4-tetrahydroindol-2-one?
The IUPAC name of 4-ethyl-1,3,3a,4-tetrahydroindol-2-one (CID 67559825) is 4-ethyl-1,3,3a,4-tetrahydroindol-2-one.
What is the SMILES notation for 4-ethyl-1,3,3a,4-tetrahydroindol-2-one?
The canonical SMILES for 4-ethyl-1,3,3a,4-tetrahydroindol-2-one is CCC1C=CC=C2NC(=O)CC21.
What is the InChIKey of 4-ethyl-1,3,3a,4-tetrahydroindol-2-one?
The InChIKey is SLIZUQQSKLIYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-4-3-5-9-8(7)6-10(12)11-9/h3-5,7-8H,2,6H2,1H3,(H,11,12).
What are the key properties of 4-ethyl-1,3,3a,4-tetrahydroindol-2-one?
4-ethyl-1,3,3a,4-tetrahydroindol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,3a,4-tetrahydroindol-2-one is sourced from PubChem (CID 67559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).