3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione

C13H12N2O2 — CID 10585440

IUPAC3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione
SMILESO=C1NC2(CC=CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-11-13(8-4-5-9-13)14-12(17)15(11)10-6-2-1-3-7-10/h1-7H,8-9H2,(H,14,17)
InChIKeySJGJJSWLBIGEQZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.83
Rot. Bonds1

About 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione

3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione (PubChem CID 10585440) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione.

Molecular Properties

Compound Name3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione
PubChem CID10585440
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione
SMILESO=C1NC2(CC=CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H12N2O2/c16-11-13(8-4-5-9-13)14-12(17)15(11)10-6-2-1-3-7-10/h1-7H,8-9H2,(H,14,17)
InChIKeySJGJJSWLBIGEQZ-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenylimidazolidine-2,4-dione
CID 570576
1-Phenylimidazolidine-2,4,5-trione
CID 577259
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2966964
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
1-Acetyl-3-phenylimidazolidine-2,4-dione
CID 890978
5,5-Dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin
CID 129851
Hydantoin, 5,5-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 3054079
1,3,8-Triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-, hydrochloride (1:1)
CID 197731
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione?
The IUPAC name of 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione (CID 10585440) is 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione.
What is the SMILES notation for 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione?
The canonical SMILES for 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione is O=C1NC2(CC=CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione?
The InChIKey is SJGJJSWLBIGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-11-13(8-4-5-9-13)14-12(17)15(11)10-6-2-1-3-7-10/h1-7H,8-9H2,(H,14,17).
What are the key properties of 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione?
3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-diazaspiro[4.4]non-7-ene-2,4-dione is sourced from PubChem (CID 10585440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).