3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C16H19BrN2O2 — CID 2710887

IUPAC3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c17-13-7-5-12(6-8-13)11-19-14(20)16(18-15(19)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,21)
InChIKeyUZAWTGYBWWEYFR-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.59
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2710887) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2710887
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O2/c17-13-7-5-12(6-8-13)11-19-14(20)16(18-15(19)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,21)
InChIKeyUZAWTGYBWWEYFR-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.59
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 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2710887) is 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is UZAWTGYBWWEYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-13-7-5-12(6-8-13)11-19-14(20)16(18-15(19)21)9-3-1-2-4-10-16/h5-8H,1-4,9-11H2,(H,18,21).
What are the key properties of 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 351.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2710887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).