10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione

C15H15BrN2O2 — CID 142660493

IUPAC10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCc1cc(N2C3CCC2C2C(=O)NC(=O)C23)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-7-6-8(2-3-9(7)16)18-10-4-5-11(18)13-12(10)14(19)17-15(13)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,19,20)
InChIKeyGLDLVTBEQLRPMT-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.00
Rot. Bonds1

About 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione

10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 142660493) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID142660493
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCc1cc(N2C3CCC2C2C(=O)NC(=O)C23)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-7-6-8(2-3-9(7)16)18-10-4-5-11(18)13-12(10)14(19)17-15(13)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,19,20)
InChIKeyGLDLVTBEQLRPMT-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
1-(4-bromo-3-methylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946331
4-(4-bromo-3-methylphenyl)-4,10-diazabicyclo[5.2.1]decane-3,5-dione
CID 71017128
2-[1-(4-bromo-3-methylphenyl)-6-methyl-3-oxopiperazin-2-yl]acetonitrile
CID 84604822
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958
(1R,2R,6S,7R)-4-(4-bromo-3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23376421
4-amino-1-(4-bromo-3-methylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023303
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
1-(4-bromo-3-methylphenyl)-6-ethylpiperazine-2,5-dione
CID 64962294
6-(aminomethyl)-3-(4-bromo-3-methylphenyl)-1,3-oxazinan-2-one
CID 117010789

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione (CID 142660493) is 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione is Cc1cc(N2C3CCC2C2C(=O)NC(=O)C23)ccc1Br.
What is the InChIKey of 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is GLDLVTBEQLRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-7-6-8(2-3-9(7)16)18-10-4-5-11(18)13-12(10)14(19)17-15(13)20/h2-3,6,10-13H,4-5H2,1H3,(H,17,19,20).
What are the key properties of 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione?
10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 335.20 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 142660493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).