hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium

C11H18NO2+ — CID 91193509

IUPAChydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium
SMILESCC=C[N+](O)=CCC=CC(O)=CCC
InChIInChI=1S/C11H17NO2/c1-3-7-11(13)8-5-6-10-12(14)9-4-2/h4-5,7-10H,3,6H2,1-2H3,(H-,13,14)/p+1
InChIKeyUEVUBKAAJTYTSB-UHFFFAOYSA-O
MW196.27 g/mol
LogP2.79
Rot. Bonds5

About hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium

hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium (PubChem CID 91193509) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium.

Molecular Properties

Compound Namehydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium
PubChem CID91193509
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Namehydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium
SMILESCC=C[N+](O)=CCC=CC(O)=CCC
InChIInChI=1S/C11H17NO2/c1-3-7-11(13)8-5-6-10-12(14)9-4-2/h4-5,7-10H,3,6H2,1-2H3,(H-,13,14)/p+1
InChIKeyUEVUBKAAJTYTSB-UHFFFAOYSA-O
XLogP2.79
TPSA43.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium?
The IUPAC name of hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium (CID 91193509) is hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium.
What is the SMILES notation for hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium?
The canonical SMILES for hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium is CC=C[N+](O)=CCC=CC(O)=CCC.
What is the InChIKey of hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium?
The InChIKey is UEVUBKAAJTYTSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO2/c1-3-7-11(13)8-5-6-10-12(14)9-4-2/h4-5,7-10H,3,6H2,1-2H3,(H-,13,14)/p+1.
What are the key properties of hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium?
hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium has a molecular weight of 196.27 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(5-hydroxyocta-3,5-dienylidene)-prop-1-enylazanium is sourced from PubChem (CID 91193509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).