(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one

C8H9NO2 — CID 98073169

IUPAC(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one
SMILESO=C1C=C2CCNC2=C[C@@H]1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,8-9,11H,1-2H2/t8-/m0/s1
InChIKeyQWGLSKLPUBNAGC-QMMMGPOBSA-N
MW151.16 g/mol
LogP-0.27
Rot. Bonds

About (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one

(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one (PubChem CID 98073169) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one
PubChem CID98073169
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one
SMILESO=C1C=C2CCNC2=C[C@@H]1O
InChIInChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,8-9,11H,1-2H2/t8-/m0/s1
InChIKeyQWGLSKLPUBNAGC-QMMMGPOBSA-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 (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The IUPAC name of (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one (CID 98073169) is (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one.
What is the SMILES notation for (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The canonical SMILES for (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one is O=C1C=C2CCNC2=C[C@@H]1O.
What is the InChIKey of (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
The InChIKey is QWGLSKLPUBNAGC-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one?
(6S)-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 (6S)-6-hydroxy-1,2,3,6-tetrahydroindol-5-one is sourced from PubChem (CID 98073169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).