3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C13H14N2O5 — CID 106528215

IUPAC3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)c1ccco1
InChIInChI=1S/C13H14N2O5/c16-9(10-2-1-5-20-10)8-15-11(17)13(14-12(15)18)3-6-19-7-4-13/h1-2,5H,3-4,6-8H2,(H,14,18)
InChIKeyOAUITCXTOJSIRH-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.56
Rot. Bonds3

About 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528215) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528215
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCOCC2)C1=O)c1ccco1
InChIInChI=1S/C13H14N2O5/c16-9(10-2-1-5-20-10)8-15-11(17)13(14-12(15)18)3-6-19-7-4-13/h1-2,5H,3-4,6-8H2,(H,14,18)
InChIKeyOAUITCXTOJSIRH-UHFFFAOYSA-N
XLogP0.56
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-[2-(furan-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 60623077
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
3-[2-[5-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7488076
2-amino-3-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
CID 106528110
3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103736328
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528289
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528215) is 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCOCC2)C1=O)c1ccco1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OAUITCXTOJSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-9(10-2-1-5-20-10)8-15-11(17)13(14-12(15)18)3-6-19-7-4-13/h1-2,5H,3-4,6-8H2,(H,14,18).
What are the key properties of 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-oxoethyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).