8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione

C16H18BrNO2 — CID 60976541

IUPAC8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c17-13-5-3-4-12(8-13)11-18-14(19)9-16(10-15(18)20)6-1-2-7-16/h3-5,8H,1-2,6-7,9-11H2
InChIKeyHSNRIEYFDRTSSN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.66
Rot. Bonds2

About 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione

8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 60976541) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID60976541
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c17-13-5-3-4-12(8-13)11-18-14(19)9-16(10-15(18)20)6-1-2-7-16/h3-5,8H,1-2,6-7,9-11H2
InChIKeyHSNRIEYFDRTSSN-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.66
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

1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
3-[(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)methyl]benzonitrile
CID 60976545
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(3-bromophenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 59017825
2-[(3-fluorophenyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 11507200
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 43589447
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
1-[[3-(hydroxymethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 63311734
1-[[3-(aminomethyl)phenyl]methyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155375

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione (CID 60976541) is 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is HSNRIEYFDRTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-13-5-3-4-12(8-13)11-18-14(19)9-16(10-15(18)20)6-1-2-7-16/h3-5,8H,1-2,6-7,9-11H2.
What are the key properties of 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 336.23 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 60976541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).