3-(1H-indol-6-yl)prop-2-yn-1-ol

C11H9NO — CID 169485137

IUPAC3-(1H-indol-6-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H9NO/c13-7-1-2-9-3-4-10-5-6-12-11(10)8-9/h3-6,8,12-13H,7H2
InChIKeyVWGOBOYNIAZMAL-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.51
Rot. Bonds

About 3-(1H-indol-6-yl)prop-2-yn-1-ol

3-(1H-indol-6-yl)prop-2-yn-1-ol (PubChem CID 169485137) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1H-indol-6-yl)prop-2-yn-1-ol
PubChem CID169485137
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-(1H-indol-6-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C11H9NO/c13-7-1-2-9-3-4-10-5-6-12-11(10)8-9/h3-6,8,12-13H,7H2
InChIKeyVWGOBOYNIAZMAL-UHFFFAOYSA-N
XLogP1.51
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1H-indol-6-yl)prop-2-yn-1-ol (CID 169485137) is 3-(1H-indol-6-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1H-indol-6-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1H-indol-6-yl)prop-2-yn-1-ol is OCC#Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)prop-2-yn-1-ol?
The InChIKey is VWGOBOYNIAZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-7-1-2-9-3-4-10-5-6-12-11(10)8-9/h3-6,8,12-13H,7H2.
What are the key properties of 3-(1H-indol-6-yl)prop-2-yn-1-ol?
3-(1H-indol-6-yl)prop-2-yn-1-ol has a molecular weight of 171.20 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).