9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione

C15H16BrNO3 — CID 106824853

IUPAC9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCOC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1
InChIInChI=1S/C15H16BrNO3/c1-20-11-6-15(7-11)8-12(18)17-14(19)13(15)9-3-2-4-10(16)5-9/h2-5,11,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyVQASSYMNTLTEJN-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.37
Rot. Bonds2

About 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione

9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 106824853) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID106824853
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCOC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1
InChIInChI=1S/C15H16BrNO3/c1-20-11-6-15(7-11)8-12(18)17-14(19)13(15)9-3-2-4-10(16)5-9/h2-5,11,13H,6-8H2,1H3,(H,17,18,19)
InChIKeyVQASSYMNTLTEJN-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(3-fluorophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
CID 106824849
9-(3-bromophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565619
2,3-dimethyl-6-(3-methylphenyl)-2,8-diazaspiro[4.5]decane-7,9-dione
CID 81472867
3,3-dimethyl-10-(3-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 80699261
6-(3-methylphenyl)-2-oxa-8-azaspiro[4.5]decane-7,9-dione
CID 79422754
6-(4-bromophenyl)-3-methyl-2-thia-8-azaspiro[4.5]decane-7,9-dione
CID 79956981
5-(3-methylphenyl)-10-oxa-3-azaspiro[5.6]dodecane-2,4-dione
CID 79422338
9-(4-chlorophenyl)-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565611
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 79429755
5-(4-bromophenyl)-9-methyl-3-azaspiro[5.5]undecane-2,4-dione
CID 79429863
3-(3-chlorophenyl)-4-ethyl-4-(methoxymethyl)piperidine-2,6-dione
CID 79432286
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione (CID 106824853) is 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione is COC1CC2(CC(=O)NC(=O)C2c2cccc(Br)c2)C1.
What is the InChIKey of 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is VQASSYMNTLTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-20-11-6-15(7-11)8-12(18)17-14(19)13(15)9-3-2-4-10(16)5-9/h2-5,11,13H,6-8H2,1H3,(H,17,18,19).
What are the key properties of 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 338.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromophenyl)-2-methoxy-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 106824853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).