(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide

C8H13NO2 — CID 13405142

IUPAC(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-5,10H,6-7H2,1H3,(H,9,11)/b3-2+,5-4+
InChIKeyROGNKFLUZQGVHZ-MQQKCMAXSA-N
MW155.20 g/mol
LogP0.23
Rot. Bonds4

About (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide

(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide (PubChem CID 13405142) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide
PubChem CID13405142
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCCO
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-5,10H,6-7H2,1H3,(H,9,11)/b3-2+,5-4+
InChIKeyROGNKFLUZQGVHZ-MQQKCMAXSA-N
XLogP0.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide (CID 13405142) is (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCCO.
What is the InChIKey of (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
The InChIKey is ROGNKFLUZQGVHZ-MQQKCMAXSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-5-8(11)9-6-7-10/h2-5,10H,6-7H2,1H3,(H,9,11)/b3-2+,5-4+.
What are the key properties of (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide has a molecular weight of 155.20 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxyethyl)hexa-2,4-dienamide is sourced from PubChem (CID 13405142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).