2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione

C15H17BrN2O2 — CID 43437122

IUPAC2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESNc1cc(Br)ccc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c16-10-4-5-12(11(17)8-10)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2
InChIKeyZWYCOUBZIRGUKO-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.25
Rot. Bonds1

About 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43437122) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43437122
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESNc1cc(Br)ccc1N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C15H17BrN2O2/c16-10-4-5-12(11(17)8-10)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2
InChIKeyZWYCOUBZIRGUKO-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 43437122) is 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione is Nc1cc(Br)ccc1N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is ZWYCOUBZIRGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-10-4-5-12(11(17)8-10)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2.
What are the key properties of 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 337.22 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).