7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione

C13H13BrN2O2 — CID 138012218

IUPAC7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione
SMILESO=C1NCC2(CC2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-10-4-2-1-3-9(10)7-16-11(17)13(5-6-13)8-15-12(16)18/h1-4H,5-8H2,(H,15,18)
InChIKeyOYLBWNBKTWEWRG-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.28
Rot. Bonds2

About 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione

7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione (PubChem CID 138012218) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione.

Molecular Properties

Compound Name7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione
PubChem CID138012218
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione
SMILESO=C1NCC2(CC2)C(=O)N1Cc1ccccc1Br
InChIInChI=1S/C13H13BrN2O2/c14-10-4-2-1-3-9(10)7-16-11(17)13(5-6-13)8-15-12(16)18/h1-4H,5-8H2,(H,15,18)
InChIKeyOYLBWNBKTWEWRG-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromophenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 26018170
1-[(2-bromophenyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 60975356
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862
3-[2-(2-bromophenyl)ethyl]imidazolidine-2,4-dione
CID 71559461
1-[(2-bromophenyl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7757108
1'-[(2-bromophenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-3-one
CID 134788937
4-[(6,8-dioxo-5,7-diazaspiro[2.5]octan-7-yl)methyl]-N,N-diethylbenzamide
CID 167742854
1-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64884573
3-[(2-bromophenyl)methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022605
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434500
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione?
The IUPAC name of 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione (CID 138012218) is 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione.
What is the SMILES notation for 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione?
The canonical SMILES for 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione is O=C1NCC2(CC2)C(=O)N1Cc1ccccc1Br.
What is the InChIKey of 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione?
The InChIKey is OYLBWNBKTWEWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c14-10-4-2-1-3-9(10)7-16-11(17)13(5-6-13)8-15-12(16)18/h1-4H,5-8H2,(H,15,18).
What are the key properties of 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione?
7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione has a molecular weight of 309.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromophenyl)methyl]-5,7-diazaspiro[2.5]octane-6,8-dione is sourced from PubChem (CID 138012218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).