1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene

C15H20N2O2 — CID 2888441

IUPAC1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene
SMILESCC1C(c2ccccc2)=[N+]([O-])C2(CCCCC2)N1O
InChIInChI=1S/C15H20N2O2/c1-12-14(13-8-4-2-5-9-13)17(19)15(16(12)18)10-6-3-7-11-15/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3
InChIKeyKBZFTZJYMLOYLC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.74
Rot. Bonds1

About 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene

1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene (PubChem CID 2888441) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene
PubChem CID2888441
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene
SMILESCC1C(c2ccccc2)=[N+]([O-])C2(CCCCC2)N1O
InChIInChI=1S/C15H20N2O2/c1-12-14(13-8-4-2-5-9-13)17(19)15(16(12)18)10-6-3-7-11-15/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3
InChIKeyKBZFTZJYMLOYLC-UHFFFAOYSA-N
XLogP2.74
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene 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 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The IUPAC name of 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene (CID 2888441) is 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene.
What is the SMILES notation for 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The canonical SMILES for 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene is CC1C(c2ccccc2)=[N+]([O-])C2(CCCCC2)N1O.
What is the InChIKey of 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene?
The InChIKey is KBZFTZJYMLOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12-14(13-8-4-2-5-9-13)17(19)15(16(12)18)10-6-3-7-11-15/h2,4-5,8-9,12,18H,3,6-7,10-11H2,1H3.
What are the key properties of 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene?
1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene has a molecular weight of 260.34 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-4-oxido-3-phenyl-1-aza-4-azoniaspiro[4.5]dec-3-ene is sourced from PubChem (CID 2888441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).