(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide

C8H12N2O2 — CID 156647517

IUPAC(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide
SMILESC=C/C(OC)=C(\C=C)C(=O)NN
InChIInChI=1S/C8H12N2O2/c1-4-6(8(11)10-9)7(5-2)12-3/h4-5H,1-2,9H2,3H3,(H,10,11)/b7-6-
InChIKeyWFWCBLJEZCCCFT-SREVYHEPSA-N
MW168.20 g/mol
LogP0.25
Rot. Bonds4

About (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide

(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide (PubChem CID 156647517) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide
PubChem CID156647517
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide
SMILESC=C/C(OC)=C(\C=C)C(=O)NN
InChIInChI=1S/C8H12N2O2/c1-4-6(8(11)10-9)7(5-2)12-3/h4-5H,1-2,9H2,3H3,(H,10,11)/b7-6-
InChIKeyWFWCBLJEZCCCFT-SREVYHEPSA-N
XLogP0.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide?
The IUPAC name of (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide (CID 156647517) is (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide.
What is the SMILES notation for (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide?
The canonical SMILES for (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide is C=C/C(OC)=C(\C=C)C(=O)NN.
What is the InChIKey of (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide?
The InChIKey is WFWCBLJEZCCCFT-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6(8(11)10-9)7(5-2)12-3/h4-5H,1-2,9H2,3H3,(H,10,11)/b7-6-.
What are the key properties of (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide?
(2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-methoxypenta-2,4-dienehydrazide is sourced from PubChem (CID 156647517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).