5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

C9H5Br2NO2S — CID 142921903

IUPAC5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESO=C1OC(c2cc(Br)c(Br)s2)=NC12CC2
InChIInChI=1S/C9H5Br2NO2S/c10-4-3-5(15-6(4)11)7-12-9(1-2-9)8(13)14-7/h3H,1-2H2
InChIKeyGKYNREATCPJASU-UHFFFAOYSA-N
MW351.02 g/mol
LogP3.11
Rot. Bonds1

About 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one

5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (PubChem CID 142921903) has the molecular formula C9H5Br2NO2S and a molecular weight of 351.02 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
PubChem CID142921903
Molecular FormulaC9H5Br2NO2S
Molecular Weight351.02 g/mol
Exact Mass348.84
IUPAC Name5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
SMILESO=C1OC(c2cc(Br)c(Br)s2)=NC12CC2
InChIInChI=1S/C9H5Br2NO2S/c10-4-3-5(15-6(4)11)7-12-9(1-2-9)8(13)14-7/h3H,1-2H2
InChIKeyGKYNREATCPJASU-UHFFFAOYSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.02
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one with MolForge

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

Launch Full Analysis

Related Compounds

5-(4,5-Dibromo-3-fluorothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 146291341
2-(4,5-Dibromo-3-fluorothiophen-2-yl)-4,4-dimethyl-1,3-oxazol-5-one
CID 156526307
6-(4,5-Dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one
CID 156526370
5-[4-Bromo-5-(trifluoromethyl)thiophen-2-yl]-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 156526371
2-(5-Bromothiophen-2-yl)-3,7-dioxa-1-azaspiro[4.4]non-1-en-4-one
CID 69053339
5-(5-Bromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 142921902
2-(5-bromothiophen-2-yl)-4-(2-methylpropyl)-4H-1,3-oxazol-5-one
CID 154634074
2-(5-bromothiophen-2-yl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 154634114
5-(3,4-Dibromo-5-chlorothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 156526309
2-(4,5-Dibromo-3-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazol-5-one
CID 156526310
2-(4,5-dibromothiophen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 173205844

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one (CID 142921903) is 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is O=C1OC(c2cc(Br)c(Br)s2)=NC12CC2.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
The InChIKey is GKYNREATCPJASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2NO2S/c10-4-3-5(15-6(4)11)7-12-9(1-2-9)8(13)14-7/h3H,1-2H2.
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one?
5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one has a molecular weight of 351.02 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-6-oxa-4-azaspiro[2.4]hept-4-en-7-one is sourced from PubChem (CID 142921903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).