N-(9-hydroxynonyl)but-3-enamide

C13H25NO2 — CID 171841682

IUPACN-(9-hydroxynonyl)but-3-enamide
SMILESC=CCC(=O)NCCCCCCCCCO
InChIInChI=1S/C13H25NO2/c1-2-10-13(16)14-11-8-6-4-3-5-7-9-12-15/h2,15H,1,3-12H2,(H,14,16)
InChIKeyKLMWZRDYLZFCSW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.40
Rot. Bonds11

About N-(9-hydroxynonyl)but-3-enamide

N-(9-hydroxynonyl)but-3-enamide (PubChem CID 171841682) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(9-hydroxynonyl)but-3-enamide.

Molecular Properties

Compound NameN-(9-hydroxynonyl)but-3-enamide
PubChem CID171841682
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(9-hydroxynonyl)but-3-enamide
SMILESC=CCC(=O)NCCCCCCCCCO
InChIInChI=1S/C13H25NO2/c1-2-10-13(16)14-11-8-6-4-3-5-7-9-12-15/h2,15H,1,3-12H2,(H,14,16)
InChIKeyKLMWZRDYLZFCSW-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-hydroxynonyl)but-3-enamide?
The IUPAC name of N-(9-hydroxynonyl)but-3-enamide (CID 171841682) is N-(9-hydroxynonyl)but-3-enamide.
What is the SMILES notation for N-(9-hydroxynonyl)but-3-enamide?
The canonical SMILES for N-(9-hydroxynonyl)but-3-enamide is C=CCC(=O)NCCCCCCCCCO.
What is the InChIKey of N-(9-hydroxynonyl)but-3-enamide?
The InChIKey is KLMWZRDYLZFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-10-13(16)14-11-8-6-4-3-5-7-9-12-15/h2,15H,1,3-12H2,(H,14,16).
What are the key properties of N-(9-hydroxynonyl)but-3-enamide?
N-(9-hydroxynonyl)but-3-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.40, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxynonyl)but-3-enamide is sourced from PubChem (CID 171841682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).