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

C12H13N3O4 — CID 30176058

IUPAC8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccoc3)CC2)N1
InChIInChI=1S/C12H13N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h1,6-7H,2-5H2,(H2,13,14,17,18)
InChIKeyIRZLQYSRPRUSMA-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.09
Rot. Bonds1

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

8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 30176058) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID30176058
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)c3ccoc3)CC2)N1
InChIInChI=1S/C12H13N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h1,6-7H,2-5H2,(H2,13,14,17,18)
InChIKeyIRZLQYSRPRUSMA-UHFFFAOYSA-N
XLogP0.09
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.09
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-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 30176058) is 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)c3ccoc3)CC2)N1.
What is the InChIKey of 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IRZLQYSRPRUSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h1,6-7H,2-5H2,(H2,13,14,17,18).
What are the key properties of 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 263.25 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30176058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).