| CAS Number | 30858-70-9 |
| Catalog Number | AG00BHC5 |
| Chemical Name | 1-cyclopropyl-1,4-diazepan-5-one |
| IUPAC Name | 1-cyclopropyl-1,4-diazepan-5-one |
| InChI | InChI=1S/C8H14N2O/c11-8-3-5-10(6-4-9-8)7-1-2-7/h7H,1-6H2,(H,9,11) |
| InChI Key | SERFALWWEPVOSQ-UHFFFAOYSA-N |
| MDL Number | MFCD22056380 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | O=C1NCCN(C2CC2)CC1 |
| Synonyms | 1-cyclopropyl-1,4-diazepan-5-one,
30858-70-9,
ZINC72313668,
AKOS023846947,
MCULE-6192924626,
NE25383,
Z1354602504,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number