2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

C16H16N2O2 — CID 90761259

IUPAC2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccc3[nH]ccc3c1)CCCC2
InChIInChI=1S/C16H16N2O2/c19-15-12-3-1-2-4-13(12)16(20)18(15)11-5-6-14-10(9-11)7-8-17-14/h5-9,17,19-20H,1-4H2
InChIKeyGHPGMCBDFCGVNP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.25
Rot. Bonds1

About 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol

2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 90761259) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID90761259
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccc3[nH]ccc3c1)CCCC2
InChIInChI=1S/C16H16N2O2/c19-15-12-3-1-2-4-13(12)16(20)18(15)11-5-6-14-10(9-11)7-8-17-14/h5-9,17,19-20H,1-4H2
InChIKeyGHPGMCBDFCGVNP-UHFFFAOYSA-N
XLogP3.25
TPSA61.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 90761259) is 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1ccc3[nH]ccc3c1)CCCC2.
What is the InChIKey of 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is GHPGMCBDFCGVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-12-3-1-2-4-13(12)16(20)18(15)11-5-6-14-10(9-11)7-8-17-14/h5-9,17,19-20H,1-4H2.
What are the key properties of 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 268.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 90761259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).