(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide

C8H12N2O — CID 142191621

IUPAC(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-4-5-7(6-9-2)8(11)10-3/h4-6H,1H2,2-3H3,(H,10,11)/b7-5+,9-6+
InChIKeyWMXOXRZWUBVWIH-PDTNFJSOSA-N
MW152.20 g/mol
LogP0.55
Rot. Bonds3

About (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide

(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide (PubChem CID 142191621) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide
PubChem CID142191621
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide
SMILESC=C/C=C(\C=N\C)C(=O)NC
InChIInChI=1S/C8H12N2O/c1-4-5-7(6-9-2)8(11)10-3/h4-6H,1H2,2-3H3,(H,10,11)/b7-5+,9-6+
InChIKeyWMXOXRZWUBVWIH-PDTNFJSOSA-N
XLogP0.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.55
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)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide?
The IUPAC name of (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide (CID 142191621) is (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide is C=C/C=C(\C=N\C)C(=O)NC.
What is the InChIKey of (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide?
The InChIKey is WMXOXRZWUBVWIH-PDTNFJSOSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-5-7(6-9-2)8(11)10-3/h4-6H,1H2,2-3H3,(H,10,11)/b7-5+,9-6+.
What are the key properties of (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide?
(2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide has a molecular weight of 152.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-(methyliminomethyl)penta-2,4-dienamide is sourced from PubChem (CID 142191621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).