9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione

C18H23NO2 — CID 79424608

IUPAC9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1ccccc1C1C(=O)NC(=O)CC12CCC(C)CC2
InChIInChI=1S/C18H23NO2/c1-12-7-9-18(10-8-12)11-15(20)19-17(21)16(18)14-6-4-3-5-13(14)2/h3-6,12,16H,7-11H2,1-2H3,(H,19,20,21)
InChIKeyXBELSZRBXHMIEO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds1

About 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione

9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 79424608) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID79424608
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESCc1ccccc1C1C(=O)NC(=O)CC12CCC(C)CC2
InChIInChI=1S/C18H23NO2/c1-12-7-9-18(10-8-12)11-15(20)19-17(21)16(18)14-6-4-3-5-13(14)2/h3-6,12,16H,7-11H2,1-2H3,(H,19,20,21)
InChIKeyXBELSZRBXHMIEO-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 79424608) is 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione is Cc1ccccc1C1C(=O)NC(=O)CC12CCC(C)CC2.
What is the InChIKey of 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is XBELSZRBXHMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-7-9-18(10-8-12)11-15(20)19-17(21)16(18)14-6-4-3-5-13(14)2/h3-6,12,16H,7-11H2,1-2H3,(H,19,20,21).
What are the key properties of 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione?
9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 285.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5-(2-methylphenyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 79424608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).