ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate

C14H12N2O2 — CID 126592322

IUPACethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate
SMILESC=COC(=O)/C(C1=NC(=C)C=C1)=C1\C=CC(C)=N1
InChIInChI=1S/C14H12N2O2/c1-4-18-14(17)13(11-7-5-9(2)15-11)12-8-6-10(3)16-12/h4-8H,1-2H2,3H3/b13-12+
InChIKeyHMAXMUQOVYPYLU-OUKQBFOZSA-N
MW240.26 g/mol
LogP2.48
Rot. Bonds3

About ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate

ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate (PubChem CID 126592322) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate.

Molecular Properties

Compound Nameethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate
PubChem CID126592322
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Nameethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate
SMILESC=COC(=O)/C(C1=NC(=C)C=C1)=C1\C=CC(C)=N1
InChIInChI=1S/C14H12N2O2/c1-4-18-14(17)13(11-7-5-9(2)15-11)12-8-6-10(3)16-12/h4-8H,1-2H2,3H3/b13-12+
InChIKeyHMAXMUQOVYPYLU-OUKQBFOZSA-N
XLogP2.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate 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 ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate?
The IUPAC name of ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate (CID 126592322) is ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate.
What is the SMILES notation for ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate?
The canonical SMILES for ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate is C=COC(=O)/C(C1=NC(=C)C=C1)=C1\C=CC(C)=N1.
What is the InChIKey of ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate?
The InChIKey is HMAXMUQOVYPYLU-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-4-18-14(17)13(11-7-5-9(2)15-11)12-8-6-10(3)16-12/h4-8H,1-2H2,3H3/b13-12+.
What are the key properties of ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate?
ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate has a molecular weight of 240.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate is sourced from PubChem (CID 126592322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).