(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide

C10H17NO2 — CID 43418149

IUPAC(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(CC)CO
InChIInChI=1S/C10H17NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h3,5-7,9,12H,4,8H2,1-2H3,(H,11,13)/b5-3+,7-6+
InChIKeyPSFLRZQFYAYKND-TWTPFVCWSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds5

About (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide

(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide (PubChem CID 43418149) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide
PubChem CID43418149
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NC(CC)CO
InChIInChI=1S/C10H17NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h3,5-7,9,12H,4,8H2,1-2H3,(H,11,13)/b5-3+,7-6+
InChIKeyPSFLRZQFYAYKND-TWTPFVCWSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
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-(1-hydroxybutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide (CID 43418149) is (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NC(CC)CO.
What is the InChIKey of (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide?
The InChIKey is PSFLRZQFYAYKND-TWTPFVCWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-6-7-10(13)11-9(4-2)8-12/h3,5-7,9,12H,4,8H2,1-2H3,(H,11,13)/b5-3+,7-6+.
What are the key properties of (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide?
(2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1-hydroxybutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 43418149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).