3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H20N2O3 — CID 79570738

IUPAC3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CCCC1CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H20N2O3/c17-11-5-3-4-10(11)6-9-16-12(18)14(15-13(16)19)7-1-2-8-14/h10H,1-9H2,(H,15,19)
InChIKeyVSHLGAAHXIRVBJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds3

About 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 79570738) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID79570738
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1CCCC1CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C14H20N2O3/c17-11-5-3-4-10(11)6-9-16-12(18)14(15-13(16)19)7-1-2-8-14/h10H,1-9H2,(H,15,19)
InChIKeyVSHLGAAHXIRVBJ-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79577135
5,5-dimethyl-3-[2-(2-oxocyclopentyl)ethyl]imidazolidine-2,4-dione
CID 79569142
5-methyl-3-[2-(2-oxocyclopentyl)ethyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 79570187
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107391096
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3,3-dimethyl-1-[2-(2-oxocyclopentyl)ethyl]pyrrolidine-2,5-dione
CID 79569494
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 79570738) is 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1CCCC1CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VSHLGAAHXIRVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-5-3-4-10(11)6-9-16-12(18)14(15-13(16)19)7-1-2-8-14/h10H,1-9H2,(H,15,19).
What are the key properties of 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 264.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-oxocyclopentyl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 79570738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).