3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C15H15F3N2O2 — CID 152800651

IUPAC3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESC=NCC1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C1CC
InChIInChI=1S/C15H15F3N2O2/c1-3-11-12(8-19-2)14(22)20(13(11)21)10-6-4-9(5-7-10)15(16,17)18/h4-7,11-12H,2-3,8H2,1H3
InChIKeySNHQBWPEYWRSLC-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.92
Rot. Bonds4

About 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 152800651) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID152800651
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESC=NCC1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C1CC
InChIInChI=1S/C15H15F3N2O2/c1-3-11-12(8-19-2)14(22)20(13(11)21)10-6-4-9(5-7-10)15(16,17)18/h4-7,11-12H,2-3,8H2,1H3
InChIKeySNHQBWPEYWRSLC-UHFFFAOYSA-N
XLogP2.92
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 152800651) is 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is C=NCC1C(=O)N(c2ccc(C(F)(F)F)cc2)C(=O)C1CC.
What is the InChIKey of 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is SNHQBWPEYWRSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c1-3-11-12(8-19-2)14(22)20(13(11)21)10-6-4-9(5-7-10)15(16,17)18/h4-7,11-12H,2-3,8H2,1H3.
What are the key properties of 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 312.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(methylideneamino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 152800651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).