3-quinoxalin-2-ylprop-2-yn-1-ol

C11H8N2O — CID 10607536

IUPAC3-quinoxalin-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1cnc2ccccc2n1
InChIInChI=1S/C11H8N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,7H2
InChIKeyWYDNECWDEOHBMV-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.97
Rot. Bonds

About 3-quinoxalin-2-ylprop-2-yn-1-ol

3-quinoxalin-2-ylprop-2-yn-1-ol (PubChem CID 10607536) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-quinoxalin-2-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-quinoxalin-2-ylprop-2-yn-1-ol
PubChem CID10607536
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3-quinoxalin-2-ylprop-2-yn-1-ol
SMILESOCC#Cc1cnc2ccccc2n1
InChIInChI=1S/C11H8N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,7H2
InChIKeyWYDNECWDEOHBMV-UHFFFAOYSA-N
XLogP0.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-quinoxalin-2-ylprop-2-yn-1-ol?
The IUPAC name of 3-quinoxalin-2-ylprop-2-yn-1-ol (CID 10607536) is 3-quinoxalin-2-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-quinoxalin-2-ylprop-2-yn-1-ol?
The canonical SMILES for 3-quinoxalin-2-ylprop-2-yn-1-ol is OCC#Cc1cnc2ccccc2n1.
What is the InChIKey of 3-quinoxalin-2-ylprop-2-yn-1-ol?
The InChIKey is WYDNECWDEOHBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,7H2.
What are the key properties of 3-quinoxalin-2-ylprop-2-yn-1-ol?
3-quinoxalin-2-ylprop-2-yn-1-ol has a molecular weight of 184.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-ylprop-2-yn-1-ol is sourced from PubChem (CID 10607536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).