(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine

C9H14N2 — CID 146553447

IUPAC(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine
SMILESC=C/C=C\C=C1/CNCCN1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-5,10-11H,1,6-8H2/b4-3-,9-5+
InChIKeyDWTYIUMHUVKTAE-XBURUKCPSA-N
MW150.22 g/mol
LogP0.81
Rot. Bonds2

About (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine

(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine (PubChem CID 146553447) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine.

Molecular Properties

Compound Name(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine
PubChem CID146553447
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine
SMILESC=C/C=C\C=C1/CNCCN1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-5,10-11H,1,6-8H2/b4-3-,9-5+
InChIKeyDWTYIUMHUVKTAE-XBURUKCPSA-N
XLogP0.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine 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 (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine?
The IUPAC name of (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine (CID 146553447) is (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine.
What is the SMILES notation for (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine?
The canonical SMILES for (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine is C=C/C=C\C=C1/CNCCN1.
What is the InChIKey of (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine?
The InChIKey is DWTYIUMHUVKTAE-XBURUKCPSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-5,10-11H,1,6-8H2/b4-3-,9-5+.
What are the key properties of (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine?
(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine has a molecular weight of 150.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine is sourced from PubChem (CID 146553447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).