(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane

C15H25NO — CID 144574804

IUPAC(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane
SMILESC=C(C)/C(C)=C\C(=C/C)C(=O)NC1CC1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-11(8-10(4)9(2)3)13(15)14-12-6-7-12;1-2/h5,8,12H,2,6-7H2,1,3-4H3,(H,14,15);1-2H3/b10-8-,11-5+;
InChIKeyJGXCTVXTXXEALS-JHKYVUOISA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds4

About (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane

(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane (PubChem CID 144574804) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane.

Molecular Properties

Compound Name(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane
PubChem CID144574804
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane
SMILESC=C(C)/C(C)=C\C(=C/C)C(=O)NC1CC1.CC
InChIInChI=1S/C13H19NO.C2H6/c1-5-11(8-10(4)9(2)3)13(15)14-12-6-7-12;1-2/h5,8,12H,2,6-7H2,1,3-4H3,(H,14,15);1-2H3/b10-8-,11-5+;
InChIKeyJGXCTVXTXXEALS-JHKYVUOISA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
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 (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane?
The IUPAC name of (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane (CID 144574804) is (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane.
What is the SMILES notation for (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane?
The canonical SMILES for (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane is C=C(C)/C(C)=C\C(=C/C)C(=O)NC1CC1.CC.
What is the InChIKey of (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane?
The InChIKey is JGXCTVXTXXEALS-JHKYVUOISA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-5-11(8-10(4)9(2)3)13(15)14-12-6-7-12;1-2/h5,8,12H,2,6-7H2,1,3-4H3,(H,14,15);1-2H3/b10-8-,11-5+;.
What are the key properties of (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane?
(2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane has a molecular weight of 235.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-cyclopropyl-2-ethylidene-4,5-dimethylhexa-3,5-dienamide;ethane is sourced from PubChem (CID 144574804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).