6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

C12H19NO3 — CID 79317322

IUPAC6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)CC1C(=O)NC(=O)CC12CCOC2
InChIInChI=1S/C12H19NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9)3-4-16-7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHVSOXQAALYIKTH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds2

About 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79317322) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79317322
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)CC1C(=O)NC(=O)CC12CCOC2
InChIInChI=1S/C12H19NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9)3-4-16-7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyHVSOXQAALYIKTH-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (CID 79317322) is 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is CC(C)CC1C(=O)NC(=O)CC12CCOC2.
What is the InChIKey of 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is HVSOXQAALYIKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9)3-4-16-7-12/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 225.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79317322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).