2,3-dihydro-1H-indol-5-ol

C8H9NO — CID 10034684

IUPAC2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1)CCN2
InChIInChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
InChIKeyMPCXQPXCYDDJSR-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.36
Rot. Bonds

About 2,3-dihydro-1H-indol-5-ol

2,3-dihydro-1H-indol-5-ol (PubChem CID 10034684) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-5-ol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-5-ol
PubChem CID10034684
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,3-dihydro-1H-indol-5-ol
SMILESOc1ccc2c(c1)CCN2
InChIInChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
InChIKeyMPCXQPXCYDDJSR-UHFFFAOYSA-N
XLogP1.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-5-ol?
The IUPAC name of 2,3-dihydro-1H-indol-5-ol (CID 10034684) is 2,3-dihydro-1H-indol-5-ol.
What is the SMILES notation for 2,3-dihydro-1H-indol-5-ol?
The canonical SMILES for 2,3-dihydro-1H-indol-5-ol is Oc1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indol-5-ol?
The InChIKey is MPCXQPXCYDDJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2.
What are the key properties of 2,3-dihydro-1H-indol-5-ol?
2,3-dihydro-1H-indol-5-ol has a molecular weight of 135.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-5-ol is sourced from PubChem (CID 10034684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).