(E)-2-(ethyliminomethyl)pent-2-enamide

C8H14N2O — CID 170237856

IUPAC(E)-2-(ethyliminomethyl)pent-2-enamide
SMILESCC/C=C(\C=N\CC)C(N)=O
InChIInChI=1S/C8H14N2O/c1-3-5-7(8(9)11)6-10-4-2/h5-6H,3-4H2,1-2H3,(H2,9,11)/b7-5+,10-6+
InChIKeyIXXNWBBWDYWJQH-YLNKAEQOSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds4

About (E)-2-(ethyliminomethyl)pent-2-enamide

(E)-2-(ethyliminomethyl)pent-2-enamide (PubChem CID 170237856) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (E)-2-(ethyliminomethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-2-(ethyliminomethyl)pent-2-enamide
PubChem CID170237856
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(E)-2-(ethyliminomethyl)pent-2-enamide
SMILESCC/C=C(\C=N\CC)C(N)=O
InChIInChI=1S/C8H14N2O/c1-3-5-7(8(9)11)6-10-4-2/h5-6H,3-4H2,1-2H3,(H2,9,11)/b7-5+,10-6+
InChIKeyIXXNWBBWDYWJQH-YLNKAEQOSA-N
XLogP0.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(ethyliminomethyl)pent-2-enamide?
The IUPAC name of (E)-2-(ethyliminomethyl)pent-2-enamide (CID 170237856) is (E)-2-(ethyliminomethyl)pent-2-enamide.
What is the SMILES notation for (E)-2-(ethyliminomethyl)pent-2-enamide?
The canonical SMILES for (E)-2-(ethyliminomethyl)pent-2-enamide is CC/C=C(\C=N\CC)C(N)=O.
What is the InChIKey of (E)-2-(ethyliminomethyl)pent-2-enamide?
The InChIKey is IXXNWBBWDYWJQH-YLNKAEQOSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-7(8(9)11)6-10-4-2/h5-6H,3-4H2,1-2H3,(H2,9,11)/b7-5+,10-6+.
What are the key properties of (E)-2-(ethyliminomethyl)pent-2-enamide?
(E)-2-(ethyliminomethyl)pent-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethyliminomethyl)pent-2-enamide is sourced from PubChem (CID 170237856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).