(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane

C13H23NO — CID 142305880

IUPAC(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane
SMILESC/C=C\C=C(/CC)C(=O)NC1CC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-6-9(4-2)11(13)12-10-7-8-10;1-2/h3,5-6,10H,4,7-8H2,1-2H3,(H,12,13);1-2H3/b5-3-,9-6+;
InChIKeyQNIGUJQSYMFITO-XRVNEYCPSA-N
MW209.33 g/mol
LogP3.20
Rot. Bonds4

About (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane

(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane (PubChem CID 142305880) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane.

Molecular Properties

Compound Name(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane
PubChem CID142305880
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane
SMILESC/C=C\C=C(/CC)C(=O)NC1CC1.CC
InChIInChI=1S/C11H17NO.C2H6/c1-3-5-6-9(4-2)11(13)12-10-7-8-10;1-2/h3,5-6,10H,4,7-8H2,1-2H3,(H,12,13);1-2H3/b5-3-,9-6+;
InChIKeyQNIGUJQSYMFITO-XRVNEYCPSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.20
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,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane?
The IUPAC name of (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane (CID 142305880) is (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane.
What is the SMILES notation for (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane?
The canonical SMILES for (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane is C/C=C\C=C(/CC)C(=O)NC1CC1.CC.
What is the InChIKey of (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane?
The InChIKey is QNIGUJQSYMFITO-XRVNEYCPSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-3-5-6-9(4-2)11(13)12-10-7-8-10;1-2/h3,5-6,10H,4,7-8H2,1-2H3,(H,12,13);1-2H3/b5-3-,9-6+;.
What are the key properties of (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane?
(2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane has a molecular weight of 209.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-cyclopropyl-2-ethylhexa-2,4-dienamide;ethane is sourced from PubChem (CID 142305880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).