7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one

C11H8FN3O3 — CID 23463837

IUPAC7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one
SMILESC=CCC1N=c2cc([N+](=O)[O-])c(F)cc2=NC1=O
InChIInChI=1S/C11H8FN3O3/c1-2-3-7-11(16)14-8-4-6(12)10(15(17)18)5-9(8)13-7/h2,4-5,7H,1,3H2
InChIKeyRAMJVCBUCJUSLX-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.46
Rot. Bonds3

About 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one

7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one (PubChem CID 23463837) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one
PubChem CID23463837
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one
SMILESC=CCC1N=c2cc([N+](=O)[O-])c(F)cc2=NC1=O
InChIInChI=1S/C11H8FN3O3/c1-2-3-7-11(16)14-8-4-6(12)10(15(17)18)5-9(8)13-7/h2,4-5,7H,1,3H2
InChIKeyRAMJVCBUCJUSLX-UHFFFAOYSA-N
XLogP0.46
TPSA84.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one (CID 23463837) is 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one is C=CCC1N=c2cc([N+](=O)[O-])c(F)cc2=NC1=O.
What is the InChIKey of 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one?
The InChIKey is RAMJVCBUCJUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c1-2-3-7-11(16)14-8-4-6(12)10(15(17)18)5-9(8)13-7/h2,4-5,7H,1,3H2.
What are the key properties of 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one?
7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one has a molecular weight of 249.20 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-nitro-3-prop-2-enyl-3H-quinoxalin-2-one is sourced from PubChem (CID 23463837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).