10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

C16H19BrN2O2 — CID 64963798

IUPAC10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1ccc(Br)cc1N1CCC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H19BrN2O2/c1-11-4-5-12(17)10-13(11)19-9-6-14(20)18-16(15(19)21)7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,18,20)
InChIKeyPMXOQCFWAXBQGA-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.92
Rot. Bonds1

About 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione

10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 64963798) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID64963798
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESCc1ccc(Br)cc1N1CCC(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H19BrN2O2/c1-11-4-5-12(17)10-13(11)19-9-6-14(20)18-16(15(19)21)7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,18,20)
InChIKeyPMXOQCFWAXBQGA-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 64963798) is 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is Cc1ccc(Br)cc1N1CCC(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is PMXOQCFWAXBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-11-4-5-12(17)10-13(11)19-9-6-14(20)18-16(15(19)21)7-2-3-8-16/h4-5,10H,2-3,6-9H2,1H3,(H,18,20).
What are the key properties of 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione has a molecular weight of 351.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 64963798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).