2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione

C₁₄H₂₁NO₄ — CID 106103032

About 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione

2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 106103032) has the molecular formula C₁₄H₂₁NO₄ and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

• Compound Name: 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
• PubChem CID: 106103032
• Molecular Formula: C₁₄H₂₁NO₄
• Molecular Weight: 267.32 g/mol
• Exact Mass: 267.15
• IUPAC Name: 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione
• SMILES: O=C1CC2(CCCCC2)C(=O)N1CC1(O)CCOC1
• InChI: InChI=1S/C14H21NO4/c16-11-8-13(4-2-1-3-5-13)12(17)15(11)9-14(18)6-7-19-10-14/h18H,1-10H2
• InChIKey: MTRBJQNSFWGLRR-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.32
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?

The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione (CID 106103032) is 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione.

What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?

The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC1(O)CCOC1.

What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?

The InChIKey is MTRBJQNSFWGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c16-11-8-13(4-2-1-3-5-13)12(17)15(11)9-14(18)6-7-19-10-14/h18H,1-10H2.

What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione?

2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 267.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-hydroxyoxolan-3-yl)methyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 106103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106103032 — identifiers, structure, computed properties (public domain)

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