8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione

C17H16N2O4 — CID 146189670

IUPAC8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3coc4ccccc34)CC2)C(=O)N1
InChIInChI=1S/C17H16N2O4/c20-14-9-17(16(22)18-14)5-7-19(8-6-17)15(21)12-10-23-13-4-2-1-3-11(12)13/h1-4,10H,5-9H2,(H,18,20,22)
InChIKeyBJCPSMXQURQKSG-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.70
Rot. Bonds1

About 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione

8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 146189670) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID146189670
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3coc4ccccc34)CC2)C(=O)N1
InChIInChI=1S/C17H16N2O4/c20-14-9-17(16(22)18-14)5-7-19(8-6-17)15(21)12-10-23-13-4-2-1-3-11(12)13/h1-4,10H,5-9H2,(H,18,20,22)
InChIKeyBJCPSMXQURQKSG-UHFFFAOYSA-N
XLogP1.70
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 146189670) is 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1CC2(CCN(C(=O)c3coc4ccccc34)CC2)C(=O)N1.
What is the InChIKey of 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is BJCPSMXQURQKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-14-9-17(16(22)18-14)5-7-19(8-6-17)15(21)12-10-23-13-4-2-1-3-11(12)13/h1-4,10H,5-9H2,(H,18,20,22).
What are the key properties of 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione?
8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 312.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-3-carbonyl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 146189670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).