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

C11H9NO — CID 172559122

IUPAC1-(1H-indol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H9NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h1,3-7,11-13H
InChIKeyJIVNFCITKWDYLP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.83
Rot. Bonds1

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

1-(1H-indol-2-yl)prop-2-yn-1-ol (PubChem CID 172559122) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(1H-indol-2-yl)prop-2-yn-1-ol
PubChem CID172559122
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-(1H-indol-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H9NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h1,3-7,11-13H
InChIKeyJIVNFCITKWDYLP-UHFFFAOYSA-N
XLogP1.83
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.83
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 1-(1H-indol-2-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(1H-indol-2-yl)prop-2-yn-1-ol (CID 172559122) is 1-(1H-indol-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(1H-indol-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(1H-indol-2-yl)prop-2-yn-1-ol is C#CC(O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-yl)prop-2-yn-1-ol?
The InChIKey is JIVNFCITKWDYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-11(13)10-7-8-5-3-4-6-9(8)12-10/h1,3-7,11-13H.
What are the key properties of 1-(1H-indol-2-yl)prop-2-yn-1-ol?
1-(1H-indol-2-yl)prop-2-yn-1-ol has a molecular weight of 171.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 172559122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).