(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide

C16H19NO2 — CID 143020297

IUPAC(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)NC(=O)C(=C/C=C)/C(O)=C\C=C
InChIInChI=1S/C16H19NO2/c1-5-9-13(10-6-2)17-16(19)14(11-7-3)15(18)12-8-4/h5-12,18H,1,3-4H2,2H3,(H,17,19)/b10-6-,13-9+,14-11+,15-12+
InChIKeyJIQALMIJSYRARF-IGJZSLCESA-N
MW257.33 g/mol
LogP3.49
Rot. Bonds7

About (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide

(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide (PubChem CID 143020297) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide.

Molecular Properties

Compound Name(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
PubChem CID143020297
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)NC(=O)C(=C/C=C)/C(O)=C\C=C
InChIInChI=1S/C16H19NO2/c1-5-9-13(10-6-2)17-16(19)14(11-7-3)15(18)12-8-4/h5-12,18H,1,3-4H2,2H3,(H,17,19)/b10-6-,13-9+,14-11+,15-12+
InChIKeyJIQALMIJSYRARF-IGJZSLCESA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N'-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]oxamide
CID 146500777
(2E,4E)-4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]amino]hepta-2,4,6-trien-2-ol
CID 146261857
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]urea
CID 166820830
(3E,5Z)-N-iodohepta-1,3,5-trien-4-amine
CID 144727165
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143724474
ethane;[(3E,5Z)-hepta-1,3,5-trien-4-yl]hydrazine
CID 142089617
(2E)-2-[(E)-1-hydroxyprop-1-enyl]penta-2,4-dienoic acid
CID 143334790
(2E,3E)-3-[[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155110175
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(3E)-3-[(E)-1-hydroxyprop-1-enyl]hexa-3,5-dien-2-one
CID 142088410

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide?
The IUPAC name of (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide (CID 143020297) is (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide.
What is the SMILES notation for (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide?
The canonical SMILES for (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide is C=C/C=C(\C=C/C)NC(=O)C(=C/C=C)/C(O)=C\C=C.
What is the InChIKey of (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide?
The InChIKey is JIQALMIJSYRARF-IGJZSLCESA-N. The full InChI is InChI=1S/C16H19NO2/c1-5-9-13(10-6-2)17-16(19)14(11-7-3)15(18)12-8-4/h5-12,18H,1,3-4H2,2H3,(H,17,19)/b10-6-,13-9+,14-11+,15-12+.
What are the key properties of (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide?
(2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide has a molecular weight of 257.33 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-hydroxy-2-prop-2-enylidenehexa-3,5-dienamide is sourced from PubChem (CID 143020297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).