2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione

C12H19NO3 — CID 63239102

IUPAC2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC(C)(O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-11(2,16)8-13-9(14)7-12(10(13)15)5-3-4-6-12/h16H,3-8H2,1-2H3
InChIKeyAKRLPAFAFBVMKL-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds2

About 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 63239102) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID63239102
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC(C)(O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H19NO3/c1-11(2,16)8-13-9(14)7-12(10(13)15)5-3-4-6-12/h16H,3-8H2,1-2H3
InChIKeyAKRLPAFAFBVMKL-UHFFFAOYSA-N
XLogP1.08
TPSA57.61 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 ≤ 51.08
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 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 63239102) is 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione is CC(C)(O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AKRLPAFAFBVMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-11(2,16)8-13-9(14)7-12(10(13)15)5-3-4-6-12/h16H,3-8H2,1-2H3.
What are the key properties of 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 225.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2-methylpropyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 63239102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).