7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione

C14H14N2O4 — CID 13157610

IUPAC7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione
SMILESO=C1NC2(CCCO2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H14N2O4/c17-11-12(18)16(9-10-5-2-1-3-6-10)13(19)14(15-11)7-4-8-20-14/h1-3,5-6H,4,7-9H2,(H,15,17)
InChIKeyUYUOEJPHGFNHNT-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.18
Rot. Bonds2

About 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione

7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione (PubChem CID 13157610) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione.

Molecular Properties

Compound Name7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione
PubChem CID13157610
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione
SMILESO=C1NC2(CCCO2)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H14N2O4/c17-11-12(18)16(9-10-5-2-1-3-6-10)13(19)14(15-11)7-4-8-20-14/h1-3,5-6H,4,7-9H2,(H,15,17)
InChIKeyUYUOEJPHGFNHNT-UHFFFAOYSA-N
XLogP0.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione?
The IUPAC name of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione (CID 13157610) is 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione.
What is the SMILES notation for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione?
The canonical SMILES for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione is O=C1NC2(CCCO2)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione?
The InChIKey is UYUOEJPHGFNHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-11-12(18)16(9-10-5-2-1-3-6-10)13(19)14(15-11)7-4-8-20-14/h1-3,5-6H,4,7-9H2,(H,15,17).
What are the key properties of 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione?
7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione has a molecular weight of 274.28 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-oxa-7,10-diazaspiro[4.5]decane-6,8,9-trione is sourced from PubChem (CID 13157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).