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

C15H16BrNO2 — CID 43385974

IUPAC2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2/c16-11-5-4-6-12(9-11)17-13(18)10-15(14(17)19)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2
InChIKeyDQDPQYHHQRQXTB-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.66
Rot. Bonds1

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

2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43385974) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43385974
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1cccc(Br)c1
InChIInChI=1S/C15H16BrNO2/c16-11-5-4-6-12(9-11)17-13(18)10-15(14(17)19)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2
InChIKeyDQDPQYHHQRQXTB-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 43385974) is 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is DQDPQYHHQRQXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-11-5-4-6-12(9-11)17-13(18)10-15(14(17)19)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 322.20 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43385974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).