7-methoxy-1-prop-2-enylquinoxalin-2-one

C12H12N2O2 — CID 68810513

IUPAC7-methoxy-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C12H12N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h3-5,7-8H,1,6H2,2H3
InChIKeyZHPFEYWIFJRNAT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.59
Rot. Bonds3

About 7-methoxy-1-prop-2-enylquinoxalin-2-one

7-methoxy-1-prop-2-enylquinoxalin-2-one (PubChem CID 68810513) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-methoxy-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-1-prop-2-enylquinoxalin-2-one
PubChem CID68810513
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name7-methoxy-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)cnc2ccc(OC)cc21
InChIInChI=1S/C12H12N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h3-5,7-8H,1,6H2,2H3
InChIKeyZHPFEYWIFJRNAT-UHFFFAOYSA-N
XLogP1.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 7-methoxy-1-prop-2-enylquinoxalin-2-one (CID 68810513) is 7-methoxy-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 7-methoxy-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 7-methoxy-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)cnc2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-1-prop-2-enylquinoxalin-2-one?
The InChIKey is ZHPFEYWIFJRNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-6-14-11-7-9(16-2)4-5-10(11)13-8-12(14)15/h3-5,7-8H,1,6H2,2H3.
What are the key properties of 7-methoxy-1-prop-2-enylquinoxalin-2-one?
7-methoxy-1-prop-2-enylquinoxalin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 68810513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).