10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione

C15H16BrNO2 — CID 79454503

IUPAC10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H16BrNO2/c16-11-6-2-1-5-10(11)13-14(19)17-12(18)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)
InChIKeyDLZGGOZIYLRRRQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.14
Rot. Bonds1

About 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione

10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 79454503) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID79454503
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)C(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C15H16BrNO2/c16-11-6-2-1-5-10(11)13-14(19)17-12(18)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)
InChIKeyDLZGGOZIYLRRRQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione (CID 79454503) is 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)C(c2ccccc2Br)C(=O)N1.
What is the InChIKey of 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is DLZGGOZIYLRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c16-11-6-2-1-5-10(11)13-14(19)17-12(18)9-15(13)7-3-4-8-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19).
What are the key properties of 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione?
10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 322.20 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-bromophenyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 79454503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).