1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione

C15H19FN2O3 — CID 142846533

IUPAC1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCOC1=C(F)NCC=C1
InChIInChI=1S/C15H19FN2O3/c16-15-12(6-5-9-17-15)21-11-4-2-1-3-10-18-13(19)7-8-14(18)20/h5-8,17H,1-4,9-11H2
InChIKeyRTCRVSDNMGNGQL-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.79
Rot. Bonds8

About 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione

1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione (PubChem CID 142846533) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione
PubChem CID142846533
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCOC1=C(F)NCC=C1
InChIInChI=1S/C15H19FN2O3/c16-15-12(6-5-9-17-15)21-11-4-2-1-3-10-18-13(19)7-8-14(18)20/h5-8,17H,1-4,9-11H2
InChIKeyRTCRVSDNMGNGQL-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione 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 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione (CID 142846533) is 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCOC1=C(F)NCC=C1.
What is the InChIKey of 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione?
The InChIKey is RTCRVSDNMGNGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-15-12(6-5-9-17-15)21-11-4-2-1-3-10-18-13(19)7-8-14(18)20/h5-8,17H,1-4,9-11H2.
What are the key properties of 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione?
1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione has a molecular weight of 294.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(6-fluoro-1,2-dihydropyridin-5-yl)oxy]hexyl]pyrrole-2,5-dione is sourced from PubChem (CID 142846533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).