penta-2,4-dienimidamide

C5H8N2 — CID 141285400

IUPACpenta-2,4-dienimidamide
SMILES[H]/N=C(/N)C=CC=C
InChIInChI=1S/C5H8N2/c1-2-3-4-5(6)7/h2-4H,1H2,(H3,6,7)
InChIKeyAAFDSAVDFQTFBA-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.66
Rot. Bonds2

About penta-2,4-dienimidamide

penta-2,4-dienimidamide (PubChem CID 141285400) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is penta-2,4-dienimidamide.

Molecular Properties

Compound Namepenta-2,4-dienimidamide
PubChem CID141285400
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Namepenta-2,4-dienimidamide
SMILES[H]/N=C(/N)C=CC=C
InChIInChI=1S/C5H8N2/c1-2-3-4-5(6)7/h2-4H,1H2,(H3,6,7)
InChIKeyAAFDSAVDFQTFBA-UHFFFAOYSA-N
XLogP0.66
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of penta-2,4-dienimidamide?
The IUPAC name of penta-2,4-dienimidamide (CID 141285400) is penta-2,4-dienimidamide.
What is the SMILES notation for penta-2,4-dienimidamide?
The canonical SMILES for penta-2,4-dienimidamide is [H]/N=C(/N)C=CC=C.
What is the InChIKey of penta-2,4-dienimidamide?
The InChIKey is AAFDSAVDFQTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-3-4-5(6)7/h2-4H,1H2,(H3,6,7).
What are the key properties of penta-2,4-dienimidamide?
penta-2,4-dienimidamide has a molecular weight of 96.13 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,4-dienimidamide is sourced from PubChem (CID 141285400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).