(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide

C8H10N2O — CID 134233344

IUPAC(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C=C)C(N)=O
InChIInChI=1S/C8H10N2O/c1-3-5-7(8(9)11)6-10-4-2/h3-6H,1-2H2,(H2,9,11)/b7-5+,10-6+
InChIKeyNFBHDCCYMOTXNM-YLNKAEQOSA-N
MW150.18 g/mol
LogP0.80
Rot. Bonds4

About (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide

(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide (PubChem CID 134233344) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide
PubChem CID134233344
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C=C)C(N)=O
InChIInChI=1S/C8H10N2O/c1-3-5-7(8(9)11)6-10-4-2/h3-6H,1-2H2,(H2,9,11)/b7-5+,10-6+
InChIKeyNFBHDCCYMOTXNM-YLNKAEQOSA-N
XLogP0.80
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.80
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide?
The IUPAC name of (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide (CID 134233344) is (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide is C=C/C=C(\C=N\C=C)C(N)=O.
What is the InChIKey of (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide?
The InChIKey is NFBHDCCYMOTXNM-YLNKAEQOSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-5-7(8(9)11)6-10-4-2/h3-6H,1-2H2,(H2,9,11)/b7-5+,10-6+.
What are the key properties of (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide?
(2E)-2-(ethenyliminomethyl)penta-2,4-dienamide has a molecular weight of 150.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethenyliminomethyl)penta-2,4-dienamide is sourced from PubChem (CID 134233344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).