benzo[c]quinolizin-11-ium-6-ol;ethane

C15H16NO+ — CID 142839036

IUPACbenzo[c]quinolizin-11-ium-6-ol;ethane
SMILESCC.Oc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C13H9NO.C2H6/c15-13-9-10-5-3-4-8-14(10)12-7-2-1-6-11(12)13;1-2/h1-9H;1-2H3/p+1
InChIKeyJHXWMRVTAKHSRO-UHFFFAOYSA-O
MW226.30 g/mol
LogP3.31
Rot. Bonds

About benzo[c]quinolizin-11-ium-6-ol;ethane

benzo[c]quinolizin-11-ium-6-ol;ethane (PubChem CID 142839036) has the molecular formula C15H16NO+ and a molecular weight of 226.30 g/mol. Its IUPAC name is benzo[c]quinolizin-11-ium-6-ol;ethane.

Molecular Properties

Compound Namebenzo[c]quinolizin-11-ium-6-ol;ethane
PubChem CID142839036
Molecular FormulaC15H16NO+
Molecular Weight226.30 g/mol
Exact Mass226.12
IUPAC Namebenzo[c]quinolizin-11-ium-6-ol;ethane
SMILESCC.Oc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C13H9NO.C2H6/c15-13-9-10-5-3-4-8-14(10)12-7-2-1-6-11(12)13;1-2/h1-9H;1-2H3/p+1
InChIKeyJHXWMRVTAKHSRO-UHFFFAOYSA-O
XLogP3.31
TPSA24.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[c]quinolizin-11-ium-6-ol;ethane?
The IUPAC name of benzo[c]quinolizin-11-ium-6-ol;ethane (CID 142839036) is benzo[c]quinolizin-11-ium-6-ol;ethane.
What is the SMILES notation for benzo[c]quinolizin-11-ium-6-ol;ethane?
The canonical SMILES for benzo[c]quinolizin-11-ium-6-ol;ethane is CC.Oc1cc2cccc[n+]2c2ccccc12.
What is the InChIKey of benzo[c]quinolizin-11-ium-6-ol;ethane?
The InChIKey is JHXWMRVTAKHSRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9NO.C2H6/c15-13-9-10-5-3-4-8-14(10)12-7-2-1-6-11(12)13;1-2/h1-9H;1-2H3/p+1.
What are the key properties of benzo[c]quinolizin-11-ium-6-ol;ethane?
benzo[c]quinolizin-11-ium-6-ol;ethane has a molecular weight of 226.30 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]quinolizin-11-ium-6-ol;ethane is sourced from PubChem (CID 142839036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).