2,3,7,7a-tetrahydro-1H-indole-2,5-diol

C8H11NO2 — CID 66584263

IUPAC2,3,7,7a-tetrahydro-1H-indole-2,5-diol
SMILESOC1=CCC2NC(O)CC2=C1
InChIInChI=1S/C8H11NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1,3,7-11H,2,4H2
InChIKeyWVWYEZIVIMJRGV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.44
Rot. Bonds

About 2,3,7,7a-tetrahydro-1H-indole-2,5-diol

2,3,7,7a-tetrahydro-1H-indole-2,5-diol (PubChem CID 66584263) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,3,7,7a-tetrahydro-1H-indole-2,5-diol.

Molecular Properties

Compound Name2,3,7,7a-tetrahydro-1H-indole-2,5-diol
PubChem CID66584263
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,3,7,7a-tetrahydro-1H-indole-2,5-diol
SMILESOC1=CCC2NC(O)CC2=C1
InChIInChI=1S/C8H11NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1,3,7-11H,2,4H2
InChIKeyWVWYEZIVIMJRGV-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,7a-tetrahydro-1H-indole-2,5-diol?
The IUPAC name of 2,3,7,7a-tetrahydro-1H-indole-2,5-diol (CID 66584263) is 2,3,7,7a-tetrahydro-1H-indole-2,5-diol.
What is the SMILES notation for 2,3,7,7a-tetrahydro-1H-indole-2,5-diol?
The canonical SMILES for 2,3,7,7a-tetrahydro-1H-indole-2,5-diol is OC1=CCC2NC(O)CC2=C1.
What is the InChIKey of 2,3,7,7a-tetrahydro-1H-indole-2,5-diol?
The InChIKey is WVWYEZIVIMJRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-6-1-2-7-5(3-6)4-8(11)9-7/h1,3,7-11H,2,4H2.
What are the key properties of 2,3,7,7a-tetrahydro-1H-indole-2,5-diol?
2,3,7,7a-tetrahydro-1H-indole-2,5-diol has a molecular weight of 153.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7a-tetrahydro-1H-indole-2,5-diol is sourced from PubChem (CID 66584263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).