1-quinoxalin-5-ylbut-3-en-1-ol

C12H12N2O — CID 105081692

IUPAC1-quinoxalin-5-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cccc2nccnc12
InChIInChI=1S/C12H12N2O/c1-2-4-11(15)9-5-3-6-10-12(9)14-8-7-13-10/h2-3,5-8,11,15H,1,4H2
InChIKeyQPWOFJVMSBSKOC-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds3

About 1-quinoxalin-5-ylbut-3-en-1-ol

1-quinoxalin-5-ylbut-3-en-1-ol (PubChem CID 105081692) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-quinoxalin-5-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-quinoxalin-5-ylbut-3-en-1-ol
PubChem CID105081692
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-quinoxalin-5-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cccc2nccnc12
InChIInChI=1S/C12H12N2O/c1-2-4-11(15)9-5-3-6-10-12(9)14-8-7-13-10/h2-3,5-8,11,15H,1,4H2
InChIKeyQPWOFJVMSBSKOC-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
CID 105082611
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
5-butan-2-ylquinoxaline
CID 123654553
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
2-(2-chloro-3-fluorophenyl)-1-quinoxalin-5-ylethanol
CID 105124141
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
1-(2-pyridin-2-ylphenyl)but-3-en-1-ol
CID 102575280
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
2-(1-hydroxybut-3-enyl)-6-methylphenol
CID 101451265

Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-5-ylbut-3-en-1-ol?
The IUPAC name of 1-quinoxalin-5-ylbut-3-en-1-ol (CID 105081692) is 1-quinoxalin-5-ylbut-3-en-1-ol.
What is the SMILES notation for 1-quinoxalin-5-ylbut-3-en-1-ol?
The canonical SMILES for 1-quinoxalin-5-ylbut-3-en-1-ol is C=CCC(O)c1cccc2nccnc12.
What is the InChIKey of 1-quinoxalin-5-ylbut-3-en-1-ol?
The InChIKey is QPWOFJVMSBSKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-11(15)9-5-3-6-10-12(9)14-8-7-13-10/h2-3,5-8,11,15H,1,4H2.
What are the key properties of 1-quinoxalin-5-ylbut-3-en-1-ol?
1-quinoxalin-5-ylbut-3-en-1-ol has a molecular weight of 200.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-5-ylbut-3-en-1-ol is sourced from PubChem (CID 105081692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).