2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione

C13H21NO2 — CID 18740215

IUPAC2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(C)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C13H21NO2/c1-10(2)9-14-11(15)8-13(12(14)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3
InChIKeyGZZGYLJEDLAIQK-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 18740215) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID18740215
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCC(C)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C13H21NO2/c1-10(2)9-14-11(15)8-13(12(14)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3
InChIKeyGZZGYLJEDLAIQK-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione (CID 18740215) is 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione is CC(C)CN1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is GZZGYLJEDLAIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)9-14-11(15)8-13(12(14)16)6-4-3-5-7-13/h10H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 223.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 18740215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).