2,3,5,6-tetrahydro-1H-indole-5,6-diol

C8H11NO2 — CID 25200514

IUPAC2,3,5,6-tetrahydro-1H-indole-5,6-diol
SMILESOC1C=C2CCNC2=CC1O
InChIInChI=1S/C8H11NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7-11H,1-2H2
InChIKeyINIJHFWSVNHMDI-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.47
Rot. Bonds

About 2,3,5,6-tetrahydro-1H-indole-5,6-diol

2,3,5,6-tetrahydro-1H-indole-5,6-diol (PubChem CID 25200514) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1H-indole-5,6-diol.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1H-indole-5,6-diol
PubChem CID25200514
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,3,5,6-tetrahydro-1H-indole-5,6-diol
SMILESOC1C=C2CCNC2=CC1O
InChIInChI=1S/C8H11NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7-11H,1-2H2
InChIKeyINIJHFWSVNHMDI-UHFFFAOYSA-N
XLogP-0.47
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1H-indole-5,6-diol?
The IUPAC name of 2,3,5,6-tetrahydro-1H-indole-5,6-diol (CID 25200514) is 2,3,5,6-tetrahydro-1H-indole-5,6-diol.
What is the SMILES notation for 2,3,5,6-tetrahydro-1H-indole-5,6-diol?
The canonical SMILES for 2,3,5,6-tetrahydro-1H-indole-5,6-diol is OC1C=C2CCNC2=CC1O.
What is the InChIKey of 2,3,5,6-tetrahydro-1H-indole-5,6-diol?
The InChIKey is INIJHFWSVNHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,7-11H,1-2H2.
What are the key properties of 2,3,5,6-tetrahydro-1H-indole-5,6-diol?
2,3,5,6-tetrahydro-1H-indole-5,6-diol has a molecular weight of 153.18 g/mol, XLogP of -0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1H-indole-5,6-diol is sourced from PubChem (CID 25200514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).