10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium

C13H17NO — CID 87120771

IUPAC10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium
SMILES[O-][N+]1=C2CCCC=C2C=C2CCCCC21
InChIInChI=1S/C13H17NO/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5,9,13H,1-4,6-8H2
InChIKeyUQWZVAVLFVKEGH-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.93
Rot. Bonds

About 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium

10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium (PubChem CID 87120771) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium.

Molecular Properties

Compound Name10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium
PubChem CID87120771
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium
SMILES[O-][N+]1=C2CCCC=C2C=C2CCCCC21
InChIInChI=1S/C13H17NO/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5,9,13H,1-4,6-8H2
InChIKeyUQWZVAVLFVKEGH-UHFFFAOYSA-N
XLogP2.93
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium?
The IUPAC name of 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium (CID 87120771) is 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium.
What is the SMILES notation for 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium?
The canonical SMILES for 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium is [O-][N+]1=C2CCCC=C2C=C2CCCCC21.
What is the InChIKey of 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium?
The InChIKey is UQWZVAVLFVKEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5,9,13H,1-4,6-8H2.
What are the key properties of 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium?
10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium has a molecular weight of 203.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium is sourced from PubChem (CID 87120771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).