3,6-dihydroindol-7-one

C8H7NO — CID 18376414

IUPAC3,6-dihydroindol-7-one
SMILESO=C1CC=CC2=C1N=CC2
InChIInChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-2,5H,3-4H2
InChIKeyLTKGOQOLTKNUNH-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.24
Rot. Bonds

About 3,6-dihydroindol-7-one

3,6-dihydroindol-7-one (PubChem CID 18376414) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 3,6-dihydroindol-7-one.

Molecular Properties

Compound Name3,6-dihydroindol-7-one
PubChem CID18376414
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name3,6-dihydroindol-7-one
SMILESO=C1CC=CC2=C1N=CC2
InChIInChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-2,5H,3-4H2
InChIKeyLTKGOQOLTKNUNH-UHFFFAOYSA-N
XLogP1.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroindol-7-one?
The IUPAC name of 3,6-dihydroindol-7-one (CID 18376414) is 3,6-dihydroindol-7-one.
What is the SMILES notation for 3,6-dihydroindol-7-one?
The canonical SMILES for 3,6-dihydroindol-7-one is O=C1CC=CC2=C1N=CC2.
What is the InChIKey of 3,6-dihydroindol-7-one?
The InChIKey is LTKGOQOLTKNUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-2,5H,3-4H2.
What are the key properties of 3,6-dihydroindol-7-one?
3,6-dihydroindol-7-one has a molecular weight of 133.15 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroindol-7-one is sourced from PubChem (CID 18376414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).