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

C8H9NO2 — CID 71435951

IUPAC6-hydroxy-1,2,3,6-tetrahydroindol-5-one
SMILESO=C1C=C2CCNC2=CC1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,8-9,11H,1-2H2
InChIKeyQWGLSKLPUBNAGC-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.27
Rot. Bonds

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

6-hydroxy-1,2,3,6-tetrahydroindol-5-one (PubChem CID 71435951) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,6-tetrahydroindol-5-one.

Molecular Properties

Compound Name6-hydroxy-1,2,3,6-tetrahydroindol-5-one
PubChem CID71435951
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name6-hydroxy-1,2,3,6-tetrahydroindol-5-one
SMILESO=C1C=C2CCNC2=CC1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,8-9,11H,1-2H2
InChIKeyQWGLSKLPUBNAGC-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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Related Compounds

2,3,5,6-tetrahydro-1H-indole-5,6-diol
CID 25200514
3-hydroxy-2-methyl-2,3-dihydro-1H-indole-5,6-dione
CID 10058093
Noradrenochrome
CID 164627
(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
CID 49867257
Noradrenaline (Norepinephrine) Impurity 57
CID 90125723
6-Hydroxy-1,6-dihydro-5H-indol-5-one
CID 90274963
5-Hydroxy-1,2,3,5-tetrahydroindol-6-one
CID 118408945
Acetic acid;6-hydroxy-1,2,3,6-tetrahydroindol-5-one
CID 156272936
(2R,3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-indole-5,6-dione
CID 23270856
3,6-Dihydroxy-1-isopropyl-1,2,3,6-tetrahydro-5H-indol-5-one
CID 76851187
(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one
CID 98073169
(6R)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one
CID 98073170

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The IUPAC name of 6-hydroxy-1,2,3,6-tetrahydroindol-5-one (CID 71435951) is 6-hydroxy-1,2,3,6-tetrahydroindol-5-one.
What is the SMILES notation for 6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The canonical SMILES for 6-hydroxy-1,2,3,6-tetrahydroindol-5-one is O=C1C=C2CCNC2=CC1O.
What is the InChIKey of 6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The InChIKey is QWGLSKLPUBNAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,8-9,11H,1-2H2.
What are the key properties of 6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
6-hydroxy-1,2,3,6-tetrahydroindol-5-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 6-hydroxy-1,2,3,6-tetrahydroindol-5-one is sourced from PubChem (CID 71435951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).