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

C21H20F2N2O3 — CID 58452447

IUPAC3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(OC(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-15-6-3-13(4-7-15)17(11-14-5-10-19(26)24-14)18-9-8-16(12-1-2-12)20(27)25-18/h3-4,6-9,11-12,14,21H,1-2,5,10H2,(H,24,26)(H,25,27)/b17-11+/t14-/m1/s1
InChIKeyYNKODLZQAIZVQU-SWEABUAFSA-N
MW386.40 g/mol
LogP3.56
Rot. Bonds6

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

3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452447) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452447
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(OC(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H20F2N2O3/c22-21(23)28-15-6-3-13(4-7-15)17(11-14-5-10-19(26)24-14)18-9-8-16(12-1-2-12)20(27)25-18/h3-4,6-9,11-12,14,21H,1-2,5,10H2,(H,24,26)(H,25,27)/b17-11+/t14-/m1/s1
InChIKeyYNKODLZQAIZVQU-SWEABUAFSA-N
XLogP3.56
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452447) is 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(\c2ccc(OC(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1.
What is the InChIKey of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is YNKODLZQAIZVQU-SWEABUAFSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c22-21(23)28-15-6-3-13(4-7-15)17(11-14-5-10-19(26)24-14)18-9-8-16(12-1-2-12)20(27)25-18/h3-4,6-9,11-12,14,21H,1-2,5,10H2,(H,24,26)(H,25,27)/b17-11+/t14-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[(E)-1-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 386.40 g/mol, XLogP of 3.56, 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-[4-(difluoromethoxy)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).