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

C8H9NO2 — CID 118408945

IUPAC5-hydroxy-1,2,3,5-tetrahydroindol-6-one
SMILESO=C1C=C2NCCC2=CC1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7,9-10H,1-2H2
InChIKeyRBRBESMBJXHIAF-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.27
Rot. Bonds

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

5-hydroxy-1,2,3,5-tetrahydroindol-6-one (PubChem CID 118408945) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 5-hydroxy-1,2,3,5-tetrahydroindol-6-one.

Molecular Properties

Compound Name5-hydroxy-1,2,3,5-tetrahydroindol-6-one
PubChem CID118408945
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name5-hydroxy-1,2,3,5-tetrahydroindol-6-one
SMILESO=C1C=C2NCCC2=CC1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7,9-10H,1-2H2
InChIKeyRBRBESMBJXHIAF-UHFFFAOYSA-N
XLogP-0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,2,3,5-tetrahydroindol-6-one?
The IUPAC name of 5-hydroxy-1,2,3,5-tetrahydroindol-6-one (CID 118408945) is 5-hydroxy-1,2,3,5-tetrahydroindol-6-one.
What is the SMILES notation for 5-hydroxy-1,2,3,5-tetrahydroindol-6-one?
The canonical SMILES for 5-hydroxy-1,2,3,5-tetrahydroindol-6-one is O=C1C=C2NCCC2=CC1O.
What is the InChIKey of 5-hydroxy-1,2,3,5-tetrahydroindol-6-one?
The InChIKey is RBRBESMBJXHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7,9-10H,1-2H2.
What are the key properties of 5-hydroxy-1,2,3,5-tetrahydroindol-6-one?
5-hydroxy-1,2,3,5-tetrahydroindol-6-one has a molecular weight of 151.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,2,3,5-tetrahydroindol-6-one is sourced from PubChem (CID 118408945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).