2-ethenylpent-4-enimidamide

C7H12N2 — CID 166059093

IUPAC2-ethenylpent-4-enimidamide
SMILES[H]/N=C(\N)C(C=C)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-6(4-2)7(8)9/h3-4,6H,1-2,5H2,(H3,8,9)
InChIKeyOQYYXUSHTJMWRT-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds4

About 2-ethenylpent-4-enimidamide

2-ethenylpent-4-enimidamide (PubChem CID 166059093) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-ethenylpent-4-enimidamide.

Molecular Properties

Compound Name2-ethenylpent-4-enimidamide
PubChem CID166059093
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-ethenylpent-4-enimidamide
SMILES[H]/N=C(\N)C(C=C)CC=C
InChIInChI=1S/C7H12N2/c1-3-5-6(4-2)7(8)9/h3-4,6H,1-2,5H2,(H3,8,9)
InChIKeyOQYYXUSHTJMWRT-UHFFFAOYSA-N
XLogP1.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylpent-4-enimidamide?
The IUPAC name of 2-ethenylpent-4-enimidamide (CID 166059093) is 2-ethenylpent-4-enimidamide.
What is the SMILES notation for 2-ethenylpent-4-enimidamide?
The canonical SMILES for 2-ethenylpent-4-enimidamide is [H]/N=C(\N)C(C=C)CC=C.
What is the InChIKey of 2-ethenylpent-4-enimidamide?
The InChIKey is OQYYXUSHTJMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-6(4-2)7(8)9/h3-4,6H,1-2,5H2,(H3,8,9).
What are the key properties of 2-ethenylpent-4-enimidamide?
2-ethenylpent-4-enimidamide has a molecular weight of 124.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylpent-4-enimidamide is sourced from PubChem (CID 166059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).