N-ethyl-2,5-dimethylidenenona-3,6-dienamide

C13H19NO — CID 123549242

IUPACN-ethyl-2,5-dimethylidenenona-3,6-dienamide
SMILESC=C(C=CCC)C=CC(=C)C(=O)NCC
InChIInChI=1S/C13H19NO/c1-5-7-8-11(3)9-10-12(4)13(15)14-6-2/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyZCYRUWKRCDDEAE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds6

About N-ethyl-2,5-dimethylidenenona-3,6-dienamide

N-ethyl-2,5-dimethylidenenona-3,6-dienamide (PubChem CID 123549242) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-2,5-dimethylidenenona-3,6-dienamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethylidenenona-3,6-dienamide
PubChem CID123549242
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-ethyl-2,5-dimethylidenenona-3,6-dienamide
SMILESC=C(C=CCC)C=CC(=C)C(=O)NCC
InChIInChI=1S/C13H19NO/c1-5-7-8-11(3)9-10-12(4)13(15)14-6-2/h7-10H,3-6H2,1-2H3,(H,14,15)
InChIKeyZCYRUWKRCDDEAE-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-ethyl-2,5-dimethylidenenona-3,6-dienamide?
The IUPAC name of N-ethyl-2,5-dimethylidenenona-3,6-dienamide (CID 123549242) is N-ethyl-2,5-dimethylidenenona-3,6-dienamide.
What is the SMILES notation for N-ethyl-2,5-dimethylidenenona-3,6-dienamide?
The canonical SMILES for N-ethyl-2,5-dimethylidenenona-3,6-dienamide is C=C(C=CCC)C=CC(=C)C(=O)NCC.
What is the InChIKey of N-ethyl-2,5-dimethylidenenona-3,6-dienamide?
The InChIKey is ZCYRUWKRCDDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-7-8-11(3)9-10-12(4)13(15)14-6-2/h7-10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-2,5-dimethylidenenona-3,6-dienamide?
N-ethyl-2,5-dimethylidenenona-3,6-dienamide has a molecular weight of 205.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethylidenenona-3,6-dienamide is sourced from PubChem (CID 123549242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).