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

C12H17N3O4 — CID 47447452

IUPAC8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CCOC3)CC2)N1
InChIInChI=1S/C12H17N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h8H,1-7H2,(H2,13,14,17,18)
InChIKeyFHPHYPWBYMYVIS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.78
Rot. Bonds1

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

8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47447452) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47447452
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C3CCOC3)CC2)N1
InChIInChI=1S/C12H17N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h8H,1-7H2,(H2,13,14,17,18)
InChIKeyFHPHYPWBYMYVIS-UHFFFAOYSA-N
XLogP-0.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.78
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-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47447452) is 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(oxolane-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-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is FHPHYPWBYMYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9(8-1-6-19-7-8)15-4-2-12(3-5-15)10(17)13-11(18)14-12/h8H,1-7H2,(H2,13,14,17,18).
What are the key properties of 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 267.28 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47447452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).