1-quinoxalin-5-ylprop-2-yn-1-ol

C11H8N2O — CID 105106188

IUPAC1-quinoxalin-5-ylprop-2-yn-1-ol
SMILESC#CC(O)c1cccc2nccnc12
InChIInChI=1S/C11H8N2O/c1-2-10(14)8-4-3-5-9-11(8)13-7-6-12-9/h1,3-7,10,14H
InChIKeyPRPIWZUTEMWMLT-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.30
Rot. Bonds1

About 1-quinoxalin-5-ylprop-2-yn-1-ol

1-quinoxalin-5-ylprop-2-yn-1-ol (PubChem CID 105106188) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-quinoxalin-5-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-quinoxalin-5-ylprop-2-yn-1-ol
PubChem CID105106188
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1-quinoxalin-5-ylprop-2-yn-1-ol
SMILESC#CC(O)c1cccc2nccnc12
InChIInChI=1S/C11H8N2O/c1-2-10(14)8-4-3-5-9-11(8)13-7-6-12-9/h1,3-7,10,14H
InChIKeyPRPIWZUTEMWMLT-UHFFFAOYSA-N
XLogP1.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
(4-chlorophenyl)-quinoxalin-5-ylmethanol
CID 105120341
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
1-quinoxalin-5-ylpent-4-yn-1-amine
CID 105148979
5-ethynylquinoxaline
CID 87150126
(5-bromo-2-fluorophenyl)-quinoxalin-5-ylmethanol
CID 105113707
quinoxalin-5-yl(thiophen-3-yl)methanol
CID 105102725
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
5-butan-2-ylquinoxaline
CID 123654553
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
(3-chlorothiophen-2-yl)-quinoxalin-5-ylmethanol
CID 107361966

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-5-ylprop-2-yn-1-ol?
The IUPAC name of 1-quinoxalin-5-ylprop-2-yn-1-ol (CID 105106188) is 1-quinoxalin-5-ylprop-2-yn-1-ol.
What is the SMILES notation for 1-quinoxalin-5-ylprop-2-yn-1-ol?
The canonical SMILES for 1-quinoxalin-5-ylprop-2-yn-1-ol is C#CC(O)c1cccc2nccnc12.
What is the InChIKey of 1-quinoxalin-5-ylprop-2-yn-1-ol?
The InChIKey is PRPIWZUTEMWMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-10(14)8-4-3-5-9-11(8)13-7-6-12-9/h1,3-7,10,14H.
What are the key properties of 1-quinoxalin-5-ylprop-2-yn-1-ol?
1-quinoxalin-5-ylprop-2-yn-1-ol has a molecular weight of 184.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-5-ylprop-2-yn-1-ol is sourced from PubChem (CID 105106188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).