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

C17H21NO3 — CID 64793674

IUPAC2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCc1ccc(N2C(=O)CC3(CCCCCC3)C2=O)cc1O
InChIInChI=1S/C17H21NO3/c1-12-6-7-13(10-14(12)19)18-15(20)11-17(16(18)21)8-4-2-3-5-9-17/h6-7,10,19H,2-5,8-9,11H2,1H3
InChIKeyWNNMBKXTANGACY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.30
Rot. Bonds1

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

2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione (PubChem CID 64793674) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
PubChem CID64793674
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
SMILESCc1ccc(N2C(=O)CC3(CCCCCC3)C2=O)cc1O
InChIInChI=1S/C17H21NO3/c1-12-6-7-13(10-14(12)19)18-15(20)11-17(16(18)21)8-4-2-3-5-9-17/h6-7,10,19H,2-5,8-9,11H2,1H3
InChIKeyWNNMBKXTANGACY-UHFFFAOYSA-N
XLogP3.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.30
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-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione (CID 64793674) is 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione is Cc1ccc(N2C(=O)CC3(CCCCCC3)C2=O)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione?
The InChIKey is WNNMBKXTANGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-6-7-13(10-14(12)19)18-15(20)11-17(16(18)21)8-4-2-3-5-9-17/h6-7,10,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione?
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione has a molecular weight of 287.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione is sourced from PubChem (CID 64793674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).