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

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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).