| CAS Number | 1043920-64-4 |
| Catalog Number | AG01A3XY |
| Chemical Name | 2-methyl-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one |
| IUPAC Name | 2-methyl-3a,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one |
| InChI | InChI=1S/C7H10N2O/c1-9-7(10)5-3-2-4-6(5)8-9/h5H,2-4H2,1H3 |
| InChI Key | SZJOVSKMLWQCDT-UHFFFAOYSA-N |
| MDL Number | MFCD14653671 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CN1C(=O)C2C(CCC2)=N1 |
| Synonyms | 2-methyl-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one,
1043920-64-4,
SCHEMBL3616118,
AKOS010640148,
NE51153,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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