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

C21H20F2N2O2 — CID 58452262

IUPAC3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(C(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H20F2N2O2/c22-20(23)14-5-3-13(4-6-14)17(11-15-7-10-19(26)24-15)18-9-8-16(12-1-2-12)21(27)25-18/h3-6,8-9,11-12,15,20H,1-2,7,10H2,(H,24,26)(H,25,27)/b17-11+/t15-/m1/s1
InChIKeyLIQDRBQWZIJQFK-QAEAHILHSA-N
MW370.40 g/mol
LogP3.90
Rot. Bonds5

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

3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452262) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID58452262
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESO=C1CC[C@H](/C=C(\c2ccc(C(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1
InChIInChI=1S/C21H20F2N2O2/c22-20(23)14-5-3-13(4-6-14)17(11-15-7-10-19(26)24-15)18-9-8-16(12-1-2-12)21(27)25-18/h3-6,8-9,11-12,15,20H,1-2,7,10H2,(H,24,26)(H,25,27)/b17-11+/t15-/m1/s1
InChIKeyLIQDRBQWZIJQFK-QAEAHILHSA-N
XLogP3.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 58452262) is 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is O=C1CC[C@H](/C=C(\c2ccc(C(F)F)cc2)c2ccc(C3CC3)c(=O)[nH]2)N1.
What is the InChIKey of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is LIQDRBQWZIJQFK-QAEAHILHSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-20(23)14-5-3-13(4-6-14)17(11-15-7-10-19(26)24-15)18-9-8-16(12-1-2-12)21(27)25-18/h3-6,8-9,11-12,15,20H,1-2,7,10H2,(H,24,26)(H,25,27)/b17-11+/t15-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 370.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).