2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione

C16H27NO3 — CID 107155565

IUPAC2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(C)CC(O)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27NO3/c1-12(2)9-13(18)11-17-14(19)10-16(15(17)20)7-5-3-4-6-8-16/h12-13,18H,3-11H2,1-2H3
InChIKeyIKOKLKBGBFLXRB-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione

2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 107155565) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID107155565
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCC(C)CC(O)CN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27NO3/c1-12(2)9-13(18)11-17-14(19)10-16(15(17)20)7-5-3-4-6-8-16/h12-13,18H,3-11H2,1-2H3
InChIKeyIKOKLKBGBFLXRB-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 107155565) is 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione is CC(C)CC(O)CN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is IKOKLKBGBFLXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)9-13(18)11-17-14(19)10-16(15(17)20)7-5-3-4-6-8-16/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 281.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methylpentyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 107155565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).