(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride

C10H17ClN4 — CID 90305285

IUPAC(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride
SMILESC=C(/C=C\C(Cl)=N/N)N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4/c1-9(3-4-10(11)13-12)15-7-5-14(2)6-8-15/h3-4H,1,5-8,12H2,2H3/b4-3-,13-10+
InChIKeyISFKEANQRXCBME-ANKWKMGHSA-N
MW228.73 g/mol
LogP0.81
Rot. Bonds3

About (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride

(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride (PubChem CID 90305285) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride.

Molecular Properties

Compound Name(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride
PubChem CID90305285
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride
SMILESC=C(/C=C\C(Cl)=N/N)N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4/c1-9(3-4-10(11)13-12)15-7-5-14(2)6-8-15/h3-4H,1,5-8,12H2,2H3/b4-3-,13-10+
InChIKeyISFKEANQRXCBME-ANKWKMGHSA-N
XLogP0.81
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4-Methylpiperazin-1-yl)penta-2,4-dienimidoyl chloride
CID 91332538

Frequently Asked Questions

What is the IUPAC name of (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride?
The IUPAC name of (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride (CID 90305285) is (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride.
What is the SMILES notation for (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride?
The canonical SMILES for (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride is C=C(/C=C\C(Cl)=N/N)N1CCN(C)CC1.
What is the InChIKey of (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride?
The InChIKey is ISFKEANQRXCBME-ANKWKMGHSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-9(3-4-10(11)13-12)15-7-5-14(2)6-8-15/h3-4H,1,5-8,12H2,2H3/b4-3-,13-10+.
What are the key properties of (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride?
(1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride has a molecular weight of 228.73 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z)-4-(4-methylpiperazin-1-yl)penta-2,4-dienehydrazonoyl chloride is sourced from PubChem (CID 90305285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).