6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

C15H17NO3 — CID 79422754

IUPAC6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCOC3)c1
InChIInChI=1S/C15H17NO3/c1-10-3-2-4-11(7-10)13-14(18)16-12(17)8-15(13)5-6-19-9-15/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyZARBWNXMEMUFNJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.53
Rot. Bonds1

About 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione

6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79422754) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79422754
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cccc(C2C(=O)NC(=O)CC23CCOC3)c1
InChIInChI=1S/C15H17NO3/c1-10-3-2-4-11(7-10)13-14(18)16-12(17)8-15(13)5-6-19-9-15/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyZARBWNXMEMUFNJ-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.53
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 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione (CID 79422754) is 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is Cc1cccc(C2C(=O)NC(=O)CC23CCOC3)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is ZARBWNXMEMUFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-2-4-11(7-10)13-14(18)16-12(17)8-15(13)5-6-19-9-15/h2-4,7,13H,5-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione?
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 259.31 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79422754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).