1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine

C12H11N3 — CID 126651808

IUPAC1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine
SMILESC=Cc1ccc2nccnc2c1/C=N/C
InChIInChI=1S/C12H11N3/c1-3-9-4-5-11-12(10(9)8-13-2)15-7-6-14-11/h3-8H,1H2,2H3/b13-8+
InChIKeyPWHMOYMJDZXCCR-MDWZMJQESA-N
MW197.24 g/mol
LogP2.32
Rot. Bonds2

About 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine

1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine (PubChem CID 126651808) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine
PubChem CID126651808
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine
SMILESC=Cc1ccc2nccnc2c1/C=N/C
InChIInChI=1S/C12H11N3/c1-3-9-4-5-11-12(10(9)8-13-2)15-7-6-14-11/h3-8H,1H2,2H3/b13-8+
InChIKeyPWHMOYMJDZXCCR-MDWZMJQESA-N
XLogP2.32
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine?
The IUPAC name of 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine (CID 126651808) is 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine?
The canonical SMILES for 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine is C=Cc1ccc2nccnc2c1/C=N/C.
What is the InChIKey of 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine?
The InChIKey is PWHMOYMJDZXCCR-MDWZMJQESA-N. The full InChI is InChI=1S/C12H11N3/c1-3-9-4-5-11-12(10(9)8-13-2)15-7-6-14-11/h3-8H,1H2,2H3/b13-8+.
What are the key properties of 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine?
1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine has a molecular weight of 197.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenylquinoxalin-5-yl)-N-methylmethanimine is sourced from PubChem (CID 126651808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).