8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H14N2O4 — CID 112600468

IUPAC8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCc1ccc(CN2C(=O)NC(=O)C3(CCC3)C2=O)o1
InChIInChI=1S/C13H14N2O4/c1-8-3-4-9(19-8)7-15-11(17)13(5-2-6-13)10(16)14-12(15)18/h3-4H,2,5-7H2,1H3,(H,14,16,18)
InChIKeyMTBRXFBAQCXBIR-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.34
Rot. Bonds2

About 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112600468) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112600468
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCc1ccc(CN2C(=O)NC(=O)C3(CCC3)C2=O)o1
InChIInChI=1S/C13H14N2O4/c1-8-3-4-9(19-8)7-15-11(17)13(5-2-6-13)10(16)14-12(15)18/h3-4H,2,5-7H2,1H3,(H,14,16,18)
InChIKeyMTBRXFBAQCXBIR-UHFFFAOYSA-N
XLogP1.34
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9-[(5-methyl-1,3-oxazol-2-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 106377426
4-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 106377422
8-[(4-chlorophenyl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946514
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
7-[(3-methyl-1,2-oxazol-5-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599878
9-[(4-methyl-3-pyridinyl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 114958048
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
7-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 106377433
8-[2-(3-methylphenyl)ethyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115947825
8-(2,3-dimethylbutyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112600986
8-(2-propan-2-yloxyethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 104767891
8-(2-methylsulfonylethyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112599614

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112600468) is 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is Cc1ccc(CN2C(=O)NC(=O)C3(CCC3)C2=O)o1.
What is the InChIKey of 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is MTBRXFBAQCXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-3-4-9(19-8)7-15-11(17)13(5-2-6-13)10(16)14-12(15)18/h3-4H,2,5-7H2,1H3,(H,14,16,18).
What are the key properties of 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 262.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylfuran-2-yl)methyl]-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112600468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).