ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate

C14H20N2O4 — CID 24837387

IUPACethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate
SMILESC=CCN1C(=O)NC2(CCCCC2C(=O)OCC)C1=O
InChIInChI=1S/C14H20N2O4/c1-3-9-16-12(18)14(15-13(16)19)8-6-5-7-10(14)11(17)20-4-2/h3,10H,1,4-9H2,2H3,(H,15,19)
InChIKeyFRAIHUUCTUWFBX-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.22
Rot. Bonds4

About ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate

ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate (PubChem CID 24837387) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate
PubChem CID24837387
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate
SMILESC=CCN1C(=O)NC2(CCCCC2C(=O)OCC)C1=O
InChIInChI=1S/C14H20N2O4/c1-3-9-16-12(18)14(15-13(16)19)8-6-5-7-10(14)11(17)20-4-2/h3,10H,1,4-9H2,2H3,(H,15,19)
InChIKeyFRAIHUUCTUWFBX-UHFFFAOYSA-N
XLogP1.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate (CID 24837387) is ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate is C=CCN1C(=O)NC2(CCCCC2C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate?
The InChIKey is FRAIHUUCTUWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-9-16-12(18)14(15-13(16)19)8-6-5-7-10(14)11(17)20-4-2/h3,10H,1,4-9H2,2H3,(H,15,19).
What are the key properties of ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate?
ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-3-prop-2-enyl-1,3-diazaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 24837387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).