7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C14H14N2O3 — CID 112598589

IUPAC7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCc1cccc(N2C(=O)NC(=O)C3(CC3)C2=O)c1
InChIInChI=1S/C14H14N2O3/c1-2-9-4-3-5-10(8-9)16-12(18)14(6-7-14)11(17)15-13(16)19/h3-5,8H,2,6-7H2,1H3,(H,15,17,19)
InChIKeyZMCOSFRYDKWISV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.61
Rot. Bonds2

About 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 112598589) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID112598589
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCCc1cccc(N2C(=O)NC(=O)C3(CC3)C2=O)c1
InChIInChI=1S/C14H14N2O3/c1-2-9-4-3-5-10(8-9)16-12(18)14(6-7-14)11(17)15-13(16)19/h3-5,8H,2,6-7H2,1H3,(H,15,17,19)
InChIKeyZMCOSFRYDKWISV-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109
7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946746
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
3-(3-ethylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4961995
7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946320
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202
9-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111

Frequently Asked Questions

What is the IUPAC name of 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 112598589) is 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CCc1cccc(N2C(=O)NC(=O)C3(CC3)C2=O)c1.
What is the InChIKey of 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is ZMCOSFRYDKWISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-9-4-3-5-10(8-9)16-12(18)14(6-7-14)11(17)15-13(16)19/h3-5,8H,2,6-7H2,1H3,(H,15,17,19).
What are the key properties of 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 258.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 112598589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).