1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H17BrN2O2 — CID 90224812

IUPAC1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O2/c1-9-7-11(8-10(2)12(9)16)18-14(20)17-13(19)15(18)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyPIVDSOVNIBPGRC-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.43
Rot. Bonds1

About 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 90224812) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID90224812
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O2/c1-9-7-11(8-10(2)12(9)16)18-14(20)17-13(19)15(18)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,19,20)
InChIKeyPIVDSOVNIBPGRC-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 90224812) is 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is Cc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is PIVDSOVNIBPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-7-11(8-10(2)12(9)16)18-14(20)17-13(19)15(18)5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 337.22 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 90224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).