3-(1H-indol-2-yl)prop-1-en-1-ol

C11H11NO — CID 67309346

IUPAC3-(1H-indol-2-yl)prop-1-en-1-ol
SMILESOC=CCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-4,6-8,12-13H,5H2
InChIKeyHBSNWWHEJRJXDV-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.78
Rot. Bonds2

About 3-(1H-indol-2-yl)prop-1-en-1-ol

3-(1H-indol-2-yl)prop-1-en-1-ol (PubChem CID 67309346) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name3-(1H-indol-2-yl)prop-1-en-1-ol
PubChem CID67309346
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-(1H-indol-2-yl)prop-1-en-1-ol
SMILESOC=CCc1cc2ccccc2[nH]1
InChIInChI=1S/C11H11NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-4,6-8,12-13H,5H2
InChIKeyHBSNWWHEJRJXDV-UHFFFAOYSA-N
XLogP2.78
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(1H-indol-2-yl)prop-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)prop-1-en-1-ol?
The IUPAC name of 3-(1H-indol-2-yl)prop-1-en-1-ol (CID 67309346) is 3-(1H-indol-2-yl)prop-1-en-1-ol.
What is the SMILES notation for 3-(1H-indol-2-yl)prop-1-en-1-ol?
The canonical SMILES for 3-(1H-indol-2-yl)prop-1-en-1-ol is OC=CCc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yl)prop-1-en-1-ol?
The InChIKey is HBSNWWHEJRJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12-10/h1-4,6-8,12-13H,5H2.
What are the key properties of 3-(1H-indol-2-yl)prop-1-en-1-ol?
3-(1H-indol-2-yl)prop-1-en-1-ol has a molecular weight of 173.22 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)prop-1-en-1-ol is sourced from PubChem (CID 67309346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).