3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

C15H16BrNO4 — CID 66797699

IUPAC3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(Br)cc1)=C2O
InChIInChI=1S/C15H16BrNO4/c1-20-17-8-6-15(7-9-17)13(18)12(14(19)21-15)10-2-4-11(16)5-3-10/h2-5,18H,6-9H2,1H3
InChIKeyRPUZERJKNMVMOY-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.67
Rot. Bonds2

About 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (PubChem CID 66797699) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
PubChem CID66797699
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)OC(=O)C(c1ccc(Br)cc1)=C2O
InChIInChI=1S/C15H16BrNO4/c1-20-17-8-6-15(7-9-17)13(18)12(14(19)21-15)10-2-4-11(16)5-3-10/h2-5,18H,6-9H2,1H3
InChIKeyRPUZERJKNMVMOY-UHFFFAOYSA-N
XLogP2.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one (CID 66797699) is 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)OC(=O)C(c1ccc(Br)cc1)=C2O.
What is the InChIKey of 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is RPUZERJKNMVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c1-20-17-8-6-15(7-9-17)13(18)12(14(19)21-15)10-2-4-11(16)5-3-10/h2-5,18H,6-9H2,1H3.
What are the key properties of 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one?
3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 354.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4-hydroxy-8-methoxy-1-oxa-8-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 66797699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).