(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one

C12H12F3NO3 — CID 141111144

IUPAC(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/C(O)c2ccc(C(F)(F)F)o2)N1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)10-5-4-9(19-10)8(17)3-1-7-2-6-11(18)16-7/h1,3-5,7-8,17H,2,6H2,(H,16,18)/b3-1+/t7-,8?/m0/s1
InChIKeyFMCPEZDKKSQZDT-QYKLUXATSA-N
MW275.23 g/mol
LogP2.17
Rot. Bonds3

About (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one

(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one (PubChem CID 141111144) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
PubChem CID141111144
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](/C=C/C(O)c2ccc(C(F)(F)F)o2)N1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)10-5-4-9(19-10)8(17)3-1-7-2-6-11(18)16-7/h1,3-5,7-8,17H,2,6H2,(H,16,18)/b3-1+/t7-,8?/m0/s1
InChIKeyFMCPEZDKKSQZDT-QYKLUXATSA-N
XLogP2.17
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one (CID 141111144) is (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one is O=C1CC[C@H](/C=C/C(O)c2ccc(C(F)(F)F)o2)N1.
What is the InChIKey of (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one?
The InChIKey is FMCPEZDKKSQZDT-QYKLUXATSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)10-5-4-9(19-10)8(17)3-1-7-2-6-11(18)16-7/h1,3-5,7-8,17H,2,6H2,(H,16,18)/b3-1+/t7-,8?/m0/s1.
What are the key properties of (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one?
(5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one has a molecular weight of 275.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(E)-3-hydroxy-3-[5-(trifluoromethyl)furan-2-yl]prop-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 141111144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).