3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C23H25FN2O3 — CID 58452771

About 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452771) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
• PubChem CID: 58452771
• Molecular Formula: C23H25FN2O3
• Molecular Weight: 396.46 g/mol
• Exact Mass: 396.18
• IUPAC Name: 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
• SMILES: CC(C)Oc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1F
• InChI: InChI=1S/C23H25FN2O3/c1-13(2)29-21-9-5-15(11-19(21)24)18(12-16-6-10-22(27)25-16)20-8-7-17(14-3-4-14)23(28)26-20/h5,7-9,11-14,16H,3-4,6,10H2,1-2H3,(H,25,27)(H,26,28)/b18-12+/t16-/m1/s1
• InChIKey: RGJRNYKSRRHRDL-YAJBTMAUSA-N
• XLogP: 3.89
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?

The IUPAC name of 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452771) is 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

What is the SMILES notation for 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?

The canonical SMILES for 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is CC(C)Oc1ccc(/C(=C\[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1F.

What is the InChIKey of 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?

The InChIKey is RGJRNYKSRRHRDL-YAJBTMAUSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-13(2)29-21-9-5-15(11-19(21)24)18(12-16-6-10-22(27)25-16)20-8-7-17(14-3-4-14)23(28)26-20/h5,7-9,11-14,16H,3-4,6,10H2,1-2H3,(H,25,27)(H,26,28)/b18-12+/t16-/m1/s1.

What are the key properties of 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?

3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 396.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-6-[(E)-1-(3-fluoro-4-propan-2-yloxyphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).