| CAS Number | 2044714-14-7 |
| Catalog Number | AG01BV00 |
| Chemical Name | 2-Oxo-1-azaspiro[3.3]heptane-6-carbonitrile |
| IUPAC Name | 2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile |
| InChI | InChI=1S/C7H8N2O/c8-4-5-1-7(2-5)3-6(10)9-7/h5H,1-3H2,(H,9,10) |
| InChI Key | CPLRIVBKLJJPGP-UHFFFAOYSA-N |
| MDL Number | MFCD30476207 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | O=C1NC2(CC(C#N)C2)C1 |
| Synonyms | 2-oxo-1-azaspiro[3.3]heptane-6-carbonitrile,
2044714-14-7,
AKOS033976838,
ZINC521399584,
CS-0067435,
Z2680629386,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.154g/mol |
| Monoisotopic Mass | 136.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number