[(2Z)-penta-2,4-dienylidene]cyanamide

C6H6N2 — CID 89025205

IUPAC[(2Z)-penta-2,4-dienylidene]cyanamide
SMILESC=C/C=C\C=N\C#N
InChIInChI=1S/C6H6N2/c1-2-3-4-5-8-6-7/h2-5H,1H2/b4-3-,8-5+
InChIKeyVQGFWIKDYUYXRZ-HMRFFJRGSA-N
MW106.13 g/mol
LogP1.28
Rot. Bonds2

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

[(2Z)-penta-2,4-dienylidene]cyanamide (PubChem CID 89025205) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is [(2Z)-penta-2,4-dienylidene]cyanamide.

Molecular Properties

Compound Name[(2Z)-penta-2,4-dienylidene]cyanamide
PubChem CID89025205
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name[(2Z)-penta-2,4-dienylidene]cyanamide
SMILESC=C/C=C\C=N\C#N
InChIInChI=1S/C6H6N2/c1-2-3-4-5-8-6-7/h2-5H,1H2/b4-3-,8-5+
InChIKeyVQGFWIKDYUYXRZ-HMRFFJRGSA-N
XLogP1.28
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-penta-2,4-dienylidene]cyanamide?
The IUPAC name of [(2Z)-penta-2,4-dienylidene]cyanamide (CID 89025205) is [(2Z)-penta-2,4-dienylidene]cyanamide.
What is the SMILES notation for [(2Z)-penta-2,4-dienylidene]cyanamide?
The canonical SMILES for [(2Z)-penta-2,4-dienylidene]cyanamide is C=C/C=C\C=N\C#N.
What is the InChIKey of [(2Z)-penta-2,4-dienylidene]cyanamide?
The InChIKey is VQGFWIKDYUYXRZ-HMRFFJRGSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-3-4-5-8-6-7/h2-5H,1H2/b4-3-,8-5+.
What are the key properties of [(2Z)-penta-2,4-dienylidene]cyanamide?
[(2Z)-penta-2,4-dienylidene]cyanamide has a molecular weight of 106.13 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-penta-2,4-dienylidene]cyanamide is sourced from PubChem (CID 89025205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).