(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide

C8H12N2 — CID 135157386

IUPAC(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(N)=N/C
InChIInChI=1S/C8H12N2/c1-4-6-7(5-2)8(9)10-3/h4-6H,1-2H2,3H3,(H2,9,10)/b7-6+
InChIKeyUVVGUQVOMACIBV-VOTSOKGWSA-N
MW136.20 g/mol
LogP1.27
Rot. Bonds3

About (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide

(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide (PubChem CID 135157386) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide
PubChem CID135157386
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide
SMILESC=C/C=C(C=C)/C(N)=N/C
InChIInChI=1S/C8H12N2/c1-4-6-7(5-2)8(9)10-3/h4-6H,1-2H2,3H3,(H2,9,10)/b7-6+
InChIKeyUVVGUQVOMACIBV-VOTSOKGWSA-N
XLogP1.27
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
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 (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide (CID 135157386) is (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide is C=C/C=C(C=C)/C(N)=N/C.
What is the InChIKey of (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide?
The InChIKey is UVVGUQVOMACIBV-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6-7(5-2)8(9)10-3/h4-6H,1-2H2,3H3,(H2,9,10)/b7-6+.
What are the key properties of (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide?
(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide has a molecular weight of 136.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 135157386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).