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

C20H18ClFN2O2 — CID 53245890

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

6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one (PubChem CID 53245890) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
• PubChem CID: 53245890
• Molecular Formula: C20H18ClFN2O2
• Molecular Weight: 372.83 g/mol
• Exact Mass: 372.10
• IUPAC Name: 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
• SMILES: O=C1CC[C@H](/C=C(/c2ccc(C3CC3)c(=O)[nH]2)c2ccc(Cl)cc2F)N1
• InChI: InChI=1S/C20H18ClFN2O2/c21-12-3-5-15(17(22)9-12)16(10-13-4-8-19(25)23-13)18-7-6-14(11-1-2-11)20(26)24-18/h3,5-7,9-11,13H,1-2,4,8H2,(H,23,25)(H,24,26)/b16-10+/t13-/m1/s1
• InChIKey: OGZMPRLPTNFABC-BVTUPMQUSA-N
• XLogP: 3.76
• TPSA: 61.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.83
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one (CID 53245890) is 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one.

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

The canonical SMILES for 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one is O=C1CC[C@H](/C=C(/c2ccc(C3CC3)c(=O)[nH]2)c2ccc(Cl)cc2F)N1.

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

The InChIKey is OGZMPRLPTNFABC-BVTUPMQUSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c21-12-3-5-15(17(22)9-12)16(10-13-4-8-19(25)23-13)18-7-6-14(11-1-2-11)20(26)24-18/h3,5-7,9-11,13H,1-2,4,8H2,(H,23,25)(H,24,26)/b16-10+/t13-/m1/s1.

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

6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one has a molecular weight of 372.83 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-1-(4-chloro-2-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 53245890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).