4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C16H22N2O3 — CID 106172217

IUPAC4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1CCC1=CCCC1
InChIInChI=1S/C16H22N2O3/c19-13-16(9-4-1-5-10-16)14(20)18(15(21)17-13)11-8-12-6-2-3-7-12/h6H,1-5,7-11H2,(H,17,19,21)
InChIKeyHUPLKGRWOXWOOP-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.52
Rot. Bonds3

About 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 106172217) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID106172217
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1CCC1=CCCC1
InChIInChI=1S/C16H22N2O3/c19-13-16(9-4-1-5-10-16)14(20)18(15(21)17-13)11-8-12-6-2-3-7-12/h6H,1-5,7-11H2,(H,17,19,21)
InChIKeyHUPLKGRWOXWOOP-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2,5-dione
CID 13247225
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947825
8-(2-pyrrolidin-1-ylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600452
8-[2-(5-chlorothiophen-2-yl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 106040636
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105
4-(2-butoxyethyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947658
9-(4-methoxybutyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112599761
7-(3-methylbutyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598884
7-(2-cyclohexylethyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599604
1-[2-(cyclopenten-1-yl)ethyl]-1,3-diazinan-2-one
CID 106172173

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 106172217) is 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1NC(=O)C2(CCCCC2)C(=O)N1CCC1=CCCC1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is HUPLKGRWOXWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-13-16(9-4-1-5-10-16)14(20)18(15(21)17-13)11-8-12-6-2-3-7-12/h6H,1-5,7-11H2,(H,17,19,21).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 290.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 106172217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).