3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H17BrN2O2 — CID 47094861

IUPAC3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O2/c16-12-6-4-5-11(9-12)10-18-13(19)15(17-14(18)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,17,20)
InChIKeyOENRSGHHOHBHHL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.20
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 47094861) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID47094861
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O2/c16-12-6-4-5-11(9-12)10-18-13(19)15(17-14(18)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,17,20)
InChIKeyOENRSGHHOHBHHL-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
(3S)-3'-[(3-bromophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2561255
8-[(3-bromophenyl)methyl]-8-azaspiro[4.5]decane-7,9-dione
CID 60976541
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 47094861) is 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is OENRSGHHOHBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-12-6-4-5-11(9-12)10-18-13(19)15(17-14(18)20)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2,(H,17,20).
What are the key properties of 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 337.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47094861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).