2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione

C16H19NO3 — CID 12885054

IUPAC2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccccc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C16H19NO3/c1-20-13-8-4-3-7-12(13)17-14(18)11-16(15(17)19)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyHVZNVXQTOOKQGV-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.91
Rot. Bonds2

About 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 12885054) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID12885054
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccccc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C16H19NO3/c1-20-13-8-4-3-7-12(13)17-14(18)11-16(15(17)19)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyHVZNVXQTOOKQGV-UHFFFAOYSA-N
XLogP2.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
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-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 12885054) is 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione is COc1ccccc1N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is HVZNVXQTOOKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-13-8-4-3-7-12(13)17-14(18)11-16(15(17)19)9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 273.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 12885054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).