2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol

C13H14N2O — CID 143952989

IUPAC2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol
SMILESCC/C=C/c1nc2cccc(O)c2nc1C
InChIInChI=1S/C13H14N2O/c1-3-4-6-10-9(2)14-13-11(15-10)7-5-8-12(13)16/h4-8,16H,3H2,1-2H3/b6-4+
InChIKeyFLBJUGQSDWLLNE-GQCTYLIASA-N
MW214.27 g/mol
LogP3.07
Rot. Bonds2

About 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol

2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol (PubChem CID 143952989) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol
PubChem CID143952989
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol
SMILESCC/C=C/c1nc2cccc(O)c2nc1C
InChIInChI=1S/C13H14N2O/c1-3-4-6-10-9(2)14-13-11(15-10)7-5-8-12(13)16/h4-8,16H,3H2,1-2H3/b6-4+
InChIKeyFLBJUGQSDWLLNE-GQCTYLIASA-N
XLogP3.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane
CID 142879464
2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine
CID 143956357
2,3-dipropylquinoxalin-5-ol
CID 139685359
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
8-methylphenazin-1-ol
CID 137287576
6,8-dimethylphenazin-1-ol
CID 137281639
2-methylquinoxalin-5-ol
CID 135546994
5-(chloromethyl)-2,3-dimethylquinoxaline
CID 22036994
4-(3-methylpent-2-enyl)phenazine-1,6-diol
CID 136933100
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
CID 136657429
(E)-3-(3-methylquinoxalin-2-yl)prop-2-enenitrile
CID 13213339
3,4-dibromo-2-methylquinolin-8-ol
CID 149162585

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol?
The IUPAC name of 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol (CID 143952989) is 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol.
What is the SMILES notation for 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol?
The canonical SMILES for 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol is CC/C=C/c1nc2cccc(O)c2nc1C.
What is the InChIKey of 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol?
The InChIKey is FLBJUGQSDWLLNE-GQCTYLIASA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-4-6-10-9(2)14-13-11(15-10)7-5-8-12(13)16/h4-8,16H,3H2,1-2H3/b6-4+.
What are the key properties of 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol?
2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol has a molecular weight of 214.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol is sourced from PubChem (CID 143952989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).