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

C16H15N3O4 — CID 146189655

IUPAC8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3coc4ccccc34)CC2)N1
InChIInChI=1S/C16H15N3O4/c20-13(11-9-23-12-4-2-1-3-10(11)12)19-7-5-16(6-8-19)14(21)17-15(22)18-16/h1-4,9H,5-8H2,(H2,17,18,21,22)
InChIKeyWREHGOZTRAVRRX-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.25
Rot. Bonds1

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

8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 146189655) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID146189655
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3coc4ccccc34)CC2)N1
InChIInChI=1S/C16H15N3O4/c20-13(11-9-23-12-4-2-1-3-10(11)12)19-7-5-16(6-8-19)14(21)17-15(22)18-16/h1-4,9H,5-8H2,(H2,17,18,21,22)
InChIKeyWREHGOZTRAVRRX-UHFFFAOYSA-N
XLogP1.25
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.25
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-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 146189655) is 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3coc4ccccc34)CC2)N1.
What is the InChIKey of 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WREHGOZTRAVRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-13(11-9-23-12-4-2-1-3-10(11)12)19-7-5-16(6-8-19)14(21)17-15(22)18-16/h1-4,9H,5-8H2,(H2,17,18,21,22).
What are the key properties of 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 313.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 146189655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).