(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide

C8H9NO2 — CID 89001510

IUPAC(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)N=O
InChIInChI=1S/C8H9NO2/c1-3-5-7(4-2)6-8(10)9-11/h3-5H,1-2,6H2/b7-5+
InChIKeyIQYLYKSWGXTRCE-FNORWQNLSA-N
MW151.16 g/mol
LogP1.97
Rot. Bonds4

About (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide

(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide (PubChem CID 89001510) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
PubChem CID89001510
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)N=O
InChIInChI=1S/C8H9NO2/c1-3-5-7(4-2)6-8(10)9-11/h3-5H,1-2,6H2/b7-5+
InChIKeyIQYLYKSWGXTRCE-FNORWQNLSA-N
XLogP1.97
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide?
The IUPAC name of (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide (CID 89001510) is (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide.
What is the SMILES notation for (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide?
The canonical SMILES for (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide is C=C/C=C(\C=C)CC(=O)N=O.
What is the InChIKey of (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide?
The InChIKey is IQYLYKSWGXTRCE-FNORWQNLSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-5-7(4-2)6-8(10)9-11/h3-5H,1-2,6H2/b7-5+.
What are the key properties of (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide?
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide has a molecular weight of 151.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-oxohexa-3,5-dienamide is sourced from PubChem (CID 89001510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).