3-methyl-N-prop-2-enylquinoxalin-2-amine

C12H13N3 — CID 60734557

IUPAC3-methyl-N-prop-2-enylquinoxalin-2-amine
SMILESC=CCNc1nc2ccccc2nc1C
InChIInChI=1S/C12H13N3/c1-3-8-13-12-9(2)14-10-6-4-5-7-11(10)15-12/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyXUTBAJPUFDVQGG-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.54
Rot. Bonds3

About 3-methyl-N-prop-2-enylquinoxalin-2-amine

3-methyl-N-prop-2-enylquinoxalin-2-amine (PubChem CID 60734557) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-methyl-N-prop-2-enylquinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-prop-2-enylquinoxalin-2-amine
PubChem CID60734557
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-methyl-N-prop-2-enylquinoxalin-2-amine
SMILESC=CCNc1nc2ccccc2nc1C
InChIInChI=1S/C12H13N3/c1-3-8-13-12-9(2)14-10-6-4-5-7-11(10)15-12/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyXUTBAJPUFDVQGG-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methyl-N-prop-2-enylquinoxalin-2-amine?
The IUPAC name of 3-methyl-N-prop-2-enylquinoxalin-2-amine (CID 60734557) is 3-methyl-N-prop-2-enylquinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-prop-2-enylquinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-prop-2-enylquinoxalin-2-amine is C=CCNc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-prop-2-enylquinoxalin-2-amine?
The InChIKey is XUTBAJPUFDVQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-8-13-12-9(2)14-10-6-4-5-7-11(10)15-12/h3-7H,1,8H2,2H3,(H,13,15).
What are the key properties of 3-methyl-N-prop-2-enylquinoxalin-2-amine?
3-methyl-N-prop-2-enylquinoxalin-2-amine has a molecular weight of 199.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-prop-2-enylquinoxalin-2-amine is sourced from PubChem (CID 60734557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).