(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide

C11H19NO2 — CID 102025548

IUPAC(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCCCCCCO
InChIInChI=1S/C11H19NO2/c1-2-3-8-11(14)12-9-6-4-5-7-10-13/h2-3,8,13H,1,4-7,9-10H2,(H,12,14)/b8-3+
InChIKeyVQFAVEJAPXRVEE-FPYGCLRLSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds8

About (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide

(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide (PubChem CID 102025548) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide
PubChem CID102025548
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide
SMILESC=C/C=C/C(=O)NCCCCCCO
InChIInChI=1S/C11H19NO2/c1-2-3-8-11(14)12-9-6-4-5-7-10-13/h2-3,8,13H,1,4-7,9-10H2,(H,12,14)/b8-3+
InChIKeyVQFAVEJAPXRVEE-FPYGCLRLSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-(6-hydroxyhexyl)penta-2,4-dienamide?
The IUPAC name of (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide (CID 102025548) is (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide is C=C/C=C/C(=O)NCCCCCCO.
What is the InChIKey of (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide?
The InChIKey is VQFAVEJAPXRVEE-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-3-8-11(14)12-9-6-4-5-7-10-13/h2-3,8,13H,1,4-7,9-10H2,(H,12,14)/b8-3+.
What are the key properties of (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide?
(2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide has a molecular weight of 197.28 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(6-hydroxyhexyl)penta-2,4-dienamide is sourced from PubChem (CID 102025548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).