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

C8H9NO — CID 69162770

IUPAC1,2,3,5-tetrahydroindol-6-one
SMILESO=C1C=C2NCCC2=CC1
InChIInChI=1S/C8H9NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,5,9H,2-4H2
InChIKeyYRAHCMDZFDEJBW-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.76
Rot. Bonds

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

1,2,3,5-tetrahydroindol-6-one (PubChem CID 69162770) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroindol-6-one.

Molecular Properties

Compound Name1,2,3,5-tetrahydroindol-6-one
PubChem CID69162770
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1,2,3,5-tetrahydroindol-6-one
SMILESO=C1C=C2NCCC2=CC1
InChIInChI=1S/C8H9NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,5,9H,2-4H2
InChIKeyYRAHCMDZFDEJBW-UHFFFAOYSA-N
XLogP0.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroindol-6-one?
The IUPAC name of 1,2,3,5-tetrahydroindol-6-one (CID 69162770) is 1,2,3,5-tetrahydroindol-6-one.
What is the SMILES notation for 1,2,3,5-tetrahydroindol-6-one?
The canonical SMILES for 1,2,3,5-tetrahydroindol-6-one is O=C1C=C2NCCC2=CC1.
What is the InChIKey of 1,2,3,5-tetrahydroindol-6-one?
The InChIKey is YRAHCMDZFDEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1,5,9H,2-4H2.
What are the key properties of 1,2,3,5-tetrahydroindol-6-one?
1,2,3,5-tetrahydroindol-6-one has a molecular weight of 135.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroindol-6-one is sourced from PubChem (CID 69162770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).