(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide

C17H19NO — CID 129254151

IUPAC(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C17H19NO/c1-5-9-13-15(11-7-3)17(19)18-16(12-8-4)14-10-6-2/h5-14H,1-4H2,(H,18,19)/b13-9-,14-10-,15-11+,16-12+
InChIKeyIZZUPQBYTKNHOX-NTJPYOIESA-N
MW253.34 g/mol
LogP3.77
Rot. Bonds8

About (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide

(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide (PubChem CID 129254151) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide
PubChem CID129254151
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C=C)=C/C=C
InChIInChI=1S/C17H19NO/c1-5-9-13-15(11-7-3)17(19)18-16(12-8-4)14-10-6-2/h5-14H,1-4H2,(H,18,19)/b13-9-,14-10-,15-11+,16-12+
InChIKeyIZZUPQBYTKNHOX-NTJPYOIESA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.77
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-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide (CID 129254151) is (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide is C=C/C=C\C(=C/C=C)NC(=O)C(/C=C\C=C)=C/C=C.
What is the InChIKey of (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide?
The InChIKey is IZZUPQBYTKNHOX-NTJPYOIESA-N. The full InChI is InChI=1S/C17H19NO/c1-5-9-13-15(11-7-3)17(19)18-16(12-8-4)14-10-6-2/h5-14H,1-4H2,(H,18,19)/b13-9-,14-10-,15-11+,16-12+.
What are the key properties of (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide?
(2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide has a molecular weight of 253.34 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-prop-2-enylidenehexa-3,5-dienamide is sourced from PubChem (CID 129254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).