8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H19N3O4 — CID 114826313

IUPAC8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CO1
InChIInChI=1S/C13H19N3O4/c1-8-6-9(7-20-8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h8-9H,2-7H2,1H3,(H2,14,15,18,19)
InChIKeyXDGMICGSVRDWPE-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.39
Rot. Bonds1

About 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 114826313) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID114826313
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CO1
InChIInChI=1S/C13H19N3O4/c1-8-6-9(7-20-8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h8-9H,2-7H2,1H3,(H2,14,15,18,19)
InChIKeyXDGMICGSVRDWPE-UHFFFAOYSA-N
XLogP-0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
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 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 114826313) is 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC1CC(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CO1.
What is the InChIKey of 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XDGMICGSVRDWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-6-9(7-20-8)10(17)16-4-2-13(3-5-16)11(18)14-12(19)15-13/h8-9H,2-7H2,1H3,(H2,14,15,18,19).
What are the key properties of 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyloxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 114826313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).