3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H19NO3 — CID 122187187

IUPAC3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc(CO)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H19NO3/c1-24-22(27)20(17-9-7-16(15-25)8-10-17)21(18-5-3-2-4-6-18)23(24)13-11-19(26)12-14-23/h2-14,25H,15H2,1H3
InChIKeyZQCHCQQRTAFISO-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.00
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187187) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187187
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccc(CO)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C23H19NO3/c1-24-22(27)20(17-9-7-16(15-25)8-10-17)21(18-5-3-2-4-6-18)23(24)13-11-19(26)12-14-23/h2-14,25H,15H2,1H3
InChIKeyZQCHCQQRTAFISO-UHFFFAOYSA-N
XLogP3.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione 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 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187187) is 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CN1C(=O)C(c2ccc(CO)cc2)=C(c2ccccc2)C12C=CC(=O)C=C2.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is ZQCHCQQRTAFISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-24-22(27)20(17-9-7-16(15-25)8-10-17)21(18-5-3-2-4-6-18)23(24)13-11-19(26)12-14-23/h2-14,25H,15H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 357.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).