2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione

C16H18BrNO2 — CID 43385991

IUPAC2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11-5-6-13(12(17)9-11)18-14(19)10-16(15(18)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyWZJWWJBZSBNIHJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.97
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43385991) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43385991
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11-5-6-13(12(17)9-11)18-14(19)10-16(15(18)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyWZJWWJBZSBNIHJ-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.97
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-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 43385991) is 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione is Cc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is WZJWWJBZSBNIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-5-6-13(12(17)9-11)18-14(19)10-16(15(18)20)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 336.23 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).