(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate

C11H16N2O4 — CID 3032347

IUPAC(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate
SMILESCC(=O)OCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-8(14)17-7-13-9(15)11(12-10(13)16)5-3-2-4-6-11/h2-7H2,1H3,(H,12,16)
InChIKeyZJTBLXSBRFHDLI-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.76
Rot. Bonds2

About (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate

(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate (PubChem CID 3032347) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate.

Molecular Properties

Compound Name(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate
PubChem CID3032347
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate
SMILESCC(=O)OCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c1-8(14)17-7-13-9(15)11(12-10(13)16)5-3-2-4-6-11/h2-7H2,1H3,(H,12,16)
InChIKeyZJTBLXSBRFHDLI-UHFFFAOYSA-N
XLogP0.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate?
The IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate (CID 3032347) is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate.
What is the SMILES notation for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate?
The canonical SMILES for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate is CC(=O)OCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate?
The InChIKey is ZJTBLXSBRFHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(14)17-7-13-9(15)11(12-10(13)16)5-3-2-4-6-11/h2-7H2,1H3,(H,12,16).
What are the key properties of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate?
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate has a molecular weight of 240.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl acetate is sourced from PubChem (CID 3032347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).