4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one

C16H15FN2O4 — CID 118137816

IUPAC4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
SMILESC=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H15FN2O4/c1-3-4-7-23-15-9-16(20)18(2)10-13(15)12-8-11(19(21)22)5-6-14(12)17/h3,5-6,8-10H,1,4,7H2,2H3
InChIKeyVYHFWXRMFHSZIS-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.05
Rot. Bonds6

About 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one

4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one (PubChem CID 118137816) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
PubChem CID118137816
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one
SMILESC=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H15FN2O4/c1-3-4-7-23-15-9-16(20)18(2)10-13(15)12-8-11(19(21)22)5-6-14(12)17/h3,5-6,8-10H,1,4,7H2,2H3
InChIKeyVYHFWXRMFHSZIS-UHFFFAOYSA-N
XLogP3.05
TPSA74.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The IUPAC name of 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one (CID 118137816) is 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one is C=CCCOc1cc(=O)n(C)cc1-c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
The InChIKey is VYHFWXRMFHSZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-3-4-7-23-15-9-16(20)18(2)10-13(15)12-8-11(19(21)22)5-6-14(12)17/h3,5-6,8-10H,1,4,7H2,2H3.
What are the key properties of 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one?
4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one has a molecular weight of 318.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-5-(2-fluoro-5-nitrophenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 118137816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).