ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide

C15H19NO — CID 142217510

IUPACethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
SMILESC/C=C\C(=C/C)NC(=O)c1ccccc1.C=C
InChIInChI=1S/C13H15NO.C2H4/c1-3-8-12(4-2)14-13(15)11-9-6-5-7-10-11;1-2/h3-10H,1-2H3,(H,14,15);1-2H2/b8-3-,12-4+;
InChIKeyDMPHXQRLTUOZSA-SMDNFFBJSA-N
MW229.32 g/mol
LogP3.70
Rot. Bonds3

About ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide

ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide (PubChem CID 142217510) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide.

Molecular Properties

Compound Nameethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
PubChem CID142217510
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Nameethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
SMILESC/C=C\C(=C/C)NC(=O)c1ccccc1.C=C
InChIInChI=1S/C13H15NO.C2H4/c1-3-8-12(4-2)14-13(15)11-9-6-5-7-10-11;1-2/h3-10H,1-2H3,(H,14,15);1-2H2/b8-3-,12-4+;
InChIKeyDMPHXQRLTUOZSA-SMDNFFBJSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[[(2E,4Z)-hexa-2,4-dien-3-yl]carbamoyl]benzamide;methanamine
CID 142176662
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-methylbenzamide
CID 11954
N-[(1E,3E)-1-(methanethioylamino)hexa-1,3,5-trien-3-yl]benzamide
CID 130413292
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
N-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]benzamide
CID 149306381
N-[(E)-N-(dimethylamino)-C-ethenylcarbonimidoyl]benzamide
CID 135603698
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide?
The IUPAC name of ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide (CID 142217510) is ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide.
What is the SMILES notation for ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide?
The canonical SMILES for ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide is C/C=C\C(=C/C)NC(=O)c1ccccc1.C=C.
What is the InChIKey of ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide?
The InChIKey is DMPHXQRLTUOZSA-SMDNFFBJSA-N. The full InChI is InChI=1S/C13H15NO.C2H4/c1-3-8-12(4-2)14-13(15)11-9-6-5-7-10-11;1-2/h3-10H,1-2H3,(H,14,15);1-2H2/b8-3-,12-4+;.
What are the key properties of ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide?
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide has a molecular weight of 229.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide is sourced from PubChem (CID 142217510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).