| CAS Number | 759442-73-4 |
| Catalog Number | AG00GORT(AGN-PC-0U8RAF) |
| Chemical Name | 2-Methyl-1,3-diazaspiro[4.4]non-1-EN-4-one |
| IUPAC Name | 2-methyl-1,3-diazaspiro[4.4]non-1-en-4-one |
| InChI | InChI=1S/C8H12N2O/c1-6-9-7(11)8(10-6)4-2-3-5-8/h2-5H2,1H3,(H,9,10,11) |
| InChI Key | OEPOIGMABNTJKW-UHFFFAOYSA-N |
| MDL Number | MFCD04037196 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC1NC(=O)C2(CCCC2)N=1 |
| Synonyms | 2-METHYL-1,3-DIAZASPIRO[4.4]NON-1-EN-4-ONE,
759442-73-4,
SCHEMBL13036080,
CTK7H5395,
KS-000023KV,
ZINC88187458,
AKOS006276742,
BS-9756,
NE47130,
1,3-Diazaspiro[4.4]non-1-en-4-one,2-methyl-,
1,3-Diazaspiro[4.4]non-1-en-4-one, 2-methyl- (9CI),
|
| Complexity | 226 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number