(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide

C11H19NO2 — CID 103850631

IUPAC(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide
SMILESCC=C/C=C/C(=O)NC(CC)CCO
InChIInChI=1S/C11H19NO2/c1-3-5-6-7-11(14)12-10(4-2)8-9-13/h3,5-7,10,13H,4,8-9H2,1-2H3,(H,12,14)/b5-3?,7-6+
InChIKeyVJYCALSNHJFLTP-BDEHTBJLSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds6

About (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide

(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide (PubChem CID 103850631) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide
PubChem CID103850631
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide
SMILESCC=C/C=C/C(=O)NC(CC)CCO
InChIInChI=1S/C11H19NO2/c1-3-5-6-7-11(14)12-10(4-2)8-9-13/h3,5-7,10,13H,4,8-9H2,1-2H3,(H,12,14)/b5-3?,7-6+
InChIKeyVJYCALSNHJFLTP-BDEHTBJLSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': '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-(1-hydroxypentan-3-yl)hexa-2,4-dienamide?
The IUPAC name of (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide (CID 103850631) is (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide is CC=C/C=C/C(=O)NC(CC)CCO.
What is the InChIKey of (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide?
The InChIKey is VJYCALSNHJFLTP-BDEHTBJLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-5-6-7-11(14)12-10(4-2)8-9-13/h3,5-7,10,13H,4,8-9H2,1-2H3,(H,12,14)/b5-3?,7-6+.
What are the key properties of (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide?
(2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide has a molecular weight of 197.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-hydroxypentan-3-yl)hexa-2,4-dienamide is sourced from PubChem (CID 103850631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).