4,5,6,7-tetrahydro-1H-indol-3-ol

C8H11NO — CID 55287772

IUPAC4,5,6,7-tetrahydro-1H-indol-3-ol
SMILESOc1c[nH]c2c1CCCC2
InChIInChI=1S/C8H11NO/c10-8-5-9-7-4-2-1-3-6(7)8/h5,9-10H,1-4H2
InChIKeyDOWRYYYKVDSXDA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.60
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-indol-3-ol

4,5,6,7-tetrahydro-1H-indol-3-ol (PubChem CID 55287772) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indol-3-ol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indol-3-ol
PubChem CID55287772
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5,6,7-tetrahydro-1H-indol-3-ol
SMILESOc1c[nH]c2c1CCCC2
InChIInChI=1S/C8H11NO/c10-8-5-9-7-4-2-1-3-6(7)8/h5,9-10H,1-4H2
InChIKeyDOWRYYYKVDSXDA-UHFFFAOYSA-N
XLogP1.60
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indol-3-ol?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indol-3-ol (CID 55287772) is 4,5,6,7-tetrahydro-1H-indol-3-ol.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indol-3-ol?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indol-3-ol is Oc1c[nH]c2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indol-3-ol?
The InChIKey is DOWRYYYKVDSXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-5-9-7-4-2-1-3-6(7)8/h5,9-10H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-1H-indol-3-ol?
4,5,6,7-tetrahydro-1H-indol-3-ol has a molecular weight of 137.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indol-3-ol is sourced from PubChem (CID 55287772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).