(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide

C11H17NO — CID 129214447

IUPAC(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C)=C(/C)C(=C)C
InChIInChI=1S/C11H17NO/c1-7-10(9(4)8(2)3)11(13)12(5)6/h7H,1-2H2,3-6H3/b10-9+
InChIKeyYJPRUMPTQPRJCK-MDZDMXLPSA-N
MW179.26 g/mol
LogP2.15
Rot. Bonds3

About (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide

(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide (PubChem CID 129214447) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide
PubChem CID129214447
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide
SMILESC=C/C(C(=O)N(C)C)=C(/C)C(=C)C
InChIInChI=1S/C11H17NO/c1-7-10(9(4)8(2)3)11(13)12(5)6/h7H,1-2H2,3-6H3/b10-9+
InChIKeyYJPRUMPTQPRJCK-MDZDMXLPSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide (CID 129214447) is (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide is C=C/C(C(=O)N(C)C)=C(/C)C(=C)C.
What is the InChIKey of (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide?
The InChIKey is YJPRUMPTQPRJCK-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-10(9(4)8(2)3)11(13)12(5)6/h7H,1-2H2,3-6H3/b10-9+.
What are the key properties of (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide?
(2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide has a molecular weight of 179.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-N,N,3,4-tetramethylpenta-2,4-dienamide is sourced from PubChem (CID 129214447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).