3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione

C14H15F3N2O2 — CID 178143020

IUPAC3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CCC(C(F)(F)F)NC2)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-3-9-10(4-2)13(21)19(12(9)20)8-5-6-11(18-7-8)14(15,16)17/h3-4,8,11,18H,1-2,5-7H2
InChIKeyNUXTXKZSUVZTOL-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.71
Rot. Bonds3

About 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione

3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione (PubChem CID 178143020) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione
PubChem CID178143020
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C2CCC(C(F)(F)F)NC2)C1=O
InChIInChI=1S/C14H15F3N2O2/c1-3-9-10(4-2)13(21)19(12(9)20)8-5-6-11(18-7-8)14(15,16)17/h3-4,8,11,18H,1-2,5-7H2
InChIKeyNUXTXKZSUVZTOL-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione (CID 178143020) is 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(C2CCC(C(F)(F)F)NC2)C1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione?
The InChIKey is NUXTXKZSUVZTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-3-9-10(4-2)13(21)19(12(9)20)8-5-6-11(18-7-8)14(15,16)17/h3-4,8,11,18H,1-2,5-7H2.
What are the key properties of 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione?
3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione has a molecular weight of 300.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-[6-(trifluoromethyl)piperidin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 178143020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).