8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione

C17H20BrNO2 — CID 60976378

IUPAC8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cc(Br)cc(C)c1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C17H20BrNO2/c1-11-7-13(18)8-12(2)16(11)19-14(20)9-17(10-15(19)21)5-3-4-6-17/h7-8H,3-6,9-10H2,1-2H3
InChIKeyHJWIWAGFPZSUFP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.28
Rot. Bonds1

About 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione

8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 60976378) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID60976378
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCc1cc(Br)cc(C)c1N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C17H20BrNO2/c1-11-7-13(18)8-12(2)16(11)19-14(20)9-17(10-15(19)21)5-3-4-6-17/h7-8H,3-6,9-10H2,1-2H3
InChIKeyHJWIWAGFPZSUFP-UHFFFAOYSA-N
XLogP4.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 107592731
8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069648
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069457
4-(4-bromo-2,6-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 15997873
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
2-(4-bromo-2,6-dimethylphenyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914587
2-(4-bromo-2,6-dimethylphenyl)-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512716
(1R,2R,6R,7R,8S,10R)-4-(4-bromo-2,6-dimethylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 100808275
3-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-1H-pyrazole-5-carboxylic acid
CID 64527897
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione (CID 60976378) is 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione is Cc1cc(Br)cc(C)c1N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is HJWIWAGFPZSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-11-7-13(18)8-12(2)16(11)19-14(20)9-17(10-15(19)21)5-3-4-6-17/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 350.26 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2,6-dimethylphenyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 60976378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).