methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate

C16H20N2O5 — CID 2997863

IUPACmethyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC3(CCCCC3C)C2=O)o1
InChIInChI=1S/C16H20N2O5/c1-10-5-3-4-8-16(10)14(20)18(15(21)17-16)9-11-6-7-12(23-11)13(19)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeyZTIBEBMKCFJZJP-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.07
Rot. Bonds3

About methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate

methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate (PubChem CID 2997863) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate
PubChem CID2997863
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2C(=O)NC3(CCCCC3C)C2=O)o1
InChIInChI=1S/C16H20N2O5/c1-10-5-3-4-8-16(10)14(20)18(15(21)17-16)9-11-6-7-12(23-11)13(19)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeyZTIBEBMKCFJZJP-UHFFFAOYSA-N
XLogP2.07
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate (CID 2997863) is methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2C(=O)NC3(CCCCC3C)C2=O)o1.
What is the InChIKey of methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate?
The InChIKey is ZTIBEBMKCFJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-10-5-3-4-8-16(10)14(20)18(15(21)17-16)9-11-6-7-12(23-11)13(19)22-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,21).
What are the key properties of methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate?
methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 2997863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).