2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H14BrNO2 — CID 43385968

IUPAC2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C14H14BrNO2/c15-10-5-1-2-6-11(10)16-12(17)9-14(13(16)18)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyDTUNLGRIIFSCGI-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.27
Rot. Bonds1

About 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 43385968) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID43385968
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC Name2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccccc1Br
InChIInChI=1S/C14H14BrNO2/c15-10-5-1-2-6-11(10)16-12(17)9-14(13(16)18)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyDTUNLGRIIFSCGI-UHFFFAOYSA-N
XLogP3.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.27
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-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 43385968) is 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is DTUNLGRIIFSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-10-5-1-2-6-11(10)16-12(17)9-14(13(16)18)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 308.17 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 43385968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).