9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide

C22H25N2O2+ — CID 10071285

IUPAC9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide
SMILESC[N+]12CCC(CC1)C(NC(=O)C1(O)c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C22H24N2O2/c1-24-12-10-15(11-13-24)20(14-24)23-21(25)22(26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,15,20,26H,10-14H2,1H3/p+1
InChIKeyXHMSNHHJPDGTRY-UHFFFAOYSA-O
MW349.45 g/mol
LogP2.26
Rot. Bonds2

About 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide

9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide (PubChem CID 10071285) has the molecular formula C22H25N2O2+ and a molecular weight of 349.45 g/mol. Its IUPAC name is 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide
PubChem CID10071285
Molecular FormulaC22H25N2O2+
Molecular Weight349.45 g/mol
Exact Mass349.19
IUPAC Name9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide
SMILESC[N+]12CCC(CC1)C(NC(=O)C1(O)c3ccccc3-c3ccccc31)C2
InChIInChI=1S/C22H24N2O2/c1-24-12-10-15(11-13-24)20(14-24)23-21(25)22(26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,15,20,26H,10-14H2,1H3/p+1
InChIKeyXHMSNHHJPDGTRY-UHFFFAOYSA-O
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide 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 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide?
The IUPAC name of 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide (CID 10071285) is 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide.
What is the SMILES notation for 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide?
The canonical SMILES for 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide is C[N+]12CCC(CC1)C(NC(=O)C1(O)c3ccccc3-c3ccccc31)C2.
What is the InChIKey of 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide?
The InChIKey is XHMSNHHJPDGTRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O2/c1-24-12-10-15(11-13-24)20(14-24)23-21(25)22(26)18-8-4-2-6-16(18)17-7-3-5-9-19(17)22/h2-9,15,20,26H,10-14H2,1H3/p+1.
What are the key properties of 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide?
9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)fluorene-9-carboxamide is sourced from PubChem (CID 10071285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).