2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

C9H14N2O3 — CID 14371801

IUPAC2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)CC(=O)N(O)C2=O
InChIInChI=1S/C9H14N2O3/c1-10-4-2-9(3-5-10)6-7(12)11(14)8(9)13/h14H,2-6H2,1H3
InChIKeyCKVYQURPCYORME-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.15
Rot. Bonds

About 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione

2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 14371801) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID14371801
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCN1CCC2(CC1)CC(=O)N(O)C2=O
InChIInChI=1S/C9H14N2O3/c1-10-4-2-9(3-5-10)6-7(12)11(14)8(9)13/h14H,2-6H2,1H3
InChIKeyCKVYQURPCYORME-UHFFFAOYSA-N
XLogP-0.15
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 14371801) is 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is CN1CCC2(CC1)CC(=O)N(O)C2=O.
What is the InChIKey of 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is CKVYQURPCYORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-4-2-9(3-5-10)6-7(12)11(14)8(9)13/h14H,2-6H2,1H3.
What are the key properties of 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione?
2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 198.22 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 14371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).