(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione

C15H20N2O2 — CID 89215004

IUPAC(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione
SMILESC=C/C=C(N)\C=C1/CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H20N2O2/c1-2-6-12(16)9-11-10-14(18)17(15(11)19)13-7-4-3-5-8-13/h2,6,9,13H,1,3-5,7-8,10,16H2/b11-9+,12-6+
InChIKeyDPXGDUMFVSAHKP-WIPAEPSYSA-N
MW260.34 g/mol
LogP2.03
Rot. Bonds3

About (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione

(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione (PubChem CID 89215004) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione
PubChem CID89215004
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione
SMILESC=C/C=C(N)\C=C1/CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C15H20N2O2/c1-2-6-12(16)9-11-10-14(18)17(15(11)19)13-7-4-3-5-8-13/h2,6,9,13H,1,3-5,7-8,10,16H2/b11-9+,12-6+
InChIKeyDPXGDUMFVSAHKP-WIPAEPSYSA-N
XLogP2.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-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 (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione (CID 89215004) is (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione is C=C/C=C(N)\C=C1/CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is DPXGDUMFVSAHKP-WIPAEPSYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-6-12(16)9-11-10-14(18)17(15(11)19)13-7-4-3-5-8-13/h2,6,9,13H,1,3-5,7-8,10,16H2/b11-9+,12-6+.
What are the key properties of (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione?
(3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2E)-2-aminopenta-2,4-dienylidene]-1-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 89215004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).