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

C14H20N2O4 — CID 77075028

IUPACmethyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O4/c1-10(11(17)20-2)6-9-16-12(18)14(15-13(16)19)7-4-3-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,15,19)
InChIKeyLYHSIGXQTDHQJZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.36
Rot. Bonds3

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

methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate (PubChem CID 77075028) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate
PubChem CID77075028
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H20N2O4/c1-10(11(17)20-2)6-9-16-12(18)14(15-13(16)19)7-4-3-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,15,19)
InChIKeyLYHSIGXQTDHQJZ-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate (CID 77075028) is methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate is COC(=O)C(C)=CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate?
The InChIKey is LYHSIGXQTDHQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(11(17)20-2)6-9-16-12(18)14(15-13(16)19)7-4-3-5-8-14/h6H,3-5,7-9H2,1-2H3,(H,15,19).
What are the key properties of methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate?
methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-methylbut-2-enoate is sourced from PubChem (CID 77075028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).