4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium

C13H23NO — CID 163139934

IUPAC4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium
SMILES[O-][NH+]1CCCC2C3CCCCC3CCC21
InChIInChI=1S/C13H23NO/c15-14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)14/h10-14H,1-9H2
InChIKeyIDNWLXJOLXBPDB-UHFFFAOYSA-N
MW209.33 g/mol
LogP1.75
Rot. Bonds

About 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium

4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium (PubChem CID 163139934) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium.

Molecular Properties

Compound Name4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium
PubChem CID163139934
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium
SMILES[O-][NH+]1CCCC2C3CCCCC3CCC21
InChIInChI=1S/C13H23NO/c15-14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)14/h10-14H,1-9H2
InChIKeyIDNWLXJOLXBPDB-UHFFFAOYSA-N
XLogP1.75
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium?
The IUPAC name of 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium (CID 163139934) is 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium.
What is the SMILES notation for 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium?
The canonical SMILES for 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium is [O-][NH+]1CCCC2C3CCCCC3CCC21.
What is the InChIKey of 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium?
The InChIKey is IDNWLXJOLXBPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-14-9-3-6-12-11-5-2-1-4-10(11)7-8-13(12)14/h10-14H,1-9H2.
What are the key properties of 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium?
4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium has a molecular weight of 209.33 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,10b-tetradecahydrobenzo[f]quinolin-4-ium is sourced from PubChem (CID 163139934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).