9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide

C13H23NO2 — CID 57346703

IUPAC9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCO
InChIInChI=1S/C13H23NO2/c1-12(2)11-14-13(16)9-7-5-3-4-6-8-10-15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,14,16)
InChIKeyMOZMMOBXPYGKKK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.03
Rot. Bonds8

About 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide

9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide (PubChem CID 57346703) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide.

Molecular Properties

Compound Name9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide
PubChem CID57346703
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide
SMILESCC(C)CNC(=O)C=CC=CCCCCO
InChIInChI=1S/C13H23NO2/c1-12(2)11-14-13(16)9-7-5-3-4-6-8-10-15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,14,16)
InChIKeyMOZMMOBXPYGKKK-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.03
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 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide?
The IUPAC name of 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide (CID 57346703) is 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide.
What is the SMILES notation for 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide?
The canonical SMILES for 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide is CC(C)CNC(=O)C=CC=CCCCCO.
What is the InChIKey of 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide?
The InChIKey is MOZMMOBXPYGKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)11-14-13(16)9-7-5-3-4-6-8-10-15/h3,5,7,9,12,15H,4,6,8,10-11H2,1-2H3,(H,14,16).
What are the key properties of 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide?
9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide has a molecular weight of 225.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(2-methylpropyl)nona-2,4-dienamide is sourced from PubChem (CID 57346703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).