3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione

C17H19Cl2NO3 — CID 67413288

IUPAC3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCOC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C17H19Cl2NO3/c1-9-6-10(18)7-12(19)13(9)14-15(21)17(20-16(14)22)5-3-4-11(8-17)23-2/h6-7,11,14H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyWGBUOSZOMRIGGV-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.41
Rot. Bonds2

About 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione

3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 67413288) has the molecular formula C17H19Cl2NO3 and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione
PubChem CID67413288
Molecular FormulaC17H19Cl2NO3
Molecular Weight356.25 g/mol
Exact Mass355.07
IUPAC Name3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCOC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O
InChIInChI=1S/C17H19Cl2NO3/c1-9-6-10(18)7-12(19)13(9)14-15(21)17(20-16(14)22)5-3-4-11(8-17)23-2/h6-7,11,14H,3-5,8H2,1-2H3,(H,20,22)
InChIKeyWGBUOSZOMRIGGV-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione (CID 67413288) is 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione is COC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is WGBUOSZOMRIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO3/c1-9-6-10(18)7-12(19)13(9)14-15(21)17(20-16(14)22)5-3-4-11(8-17)23-2/h6-7,11,14H,3-5,8H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione?
3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 356.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-methylphenyl)-7-methoxy-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 67413288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).