2-prop-2-ynoxy-1H-indole

C11H9NO — CID 57088946

IUPAC2-prop-2-ynoxy-1H-indole
SMILESC#CCOc1cc2ccccc2[nH]1
InChIInChI=1S/C11H9NO/c1-2-7-13-11-8-9-5-3-4-6-10(9)12-11/h1,3-6,8,12H,7H2
InChIKeyIHGOQLQFKIHNLA-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.18
Rot. Bonds2

About 2-prop-2-ynoxy-1H-indole

2-prop-2-ynoxy-1H-indole (PubChem CID 57088946) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-prop-2-ynoxy-1H-indole.

Molecular Properties

Compound Name2-prop-2-ynoxy-1H-indole
PubChem CID57088946
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name2-prop-2-ynoxy-1H-indole
SMILESC#CCOc1cc2ccccc2[nH]1
InChIInChI=1S/C11H9NO/c1-2-7-13-11-8-9-5-3-4-6-10(9)12-11/h1,3-6,8,12H,7H2
InChIKeyIHGOQLQFKIHNLA-UHFFFAOYSA-N
XLogP2.18
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
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 2-prop-2-ynoxy-1H-indole?
The IUPAC name of 2-prop-2-ynoxy-1H-indole (CID 57088946) is 2-prop-2-ynoxy-1H-indole.
What is the SMILES notation for 2-prop-2-ynoxy-1H-indole?
The canonical SMILES for 2-prop-2-ynoxy-1H-indole is C#CCOc1cc2ccccc2[nH]1.
What is the InChIKey of 2-prop-2-ynoxy-1H-indole?
The InChIKey is IHGOQLQFKIHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-7-13-11-8-9-5-3-4-6-10(9)12-11/h1,3-6,8,12H,7H2.
What are the key properties of 2-prop-2-ynoxy-1H-indole?
2-prop-2-ynoxy-1H-indole has a molecular weight of 171.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynoxy-1H-indole is sourced from PubChem (CID 57088946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).