| CAS Number | 1314969-31-7 |
| Catalog Number | AG01B6ZA |
| Chemical Name | 3-(Propan-2-yl)pyrrolidin-2-one |
| IUPAC Name | 3-propan-2-ylpyrrolidin-2-one |
| InChI | InChI=1S/C7H13NO/c1-5(2)6-3-4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | NGIZWTLYXYMEFV-UHFFFAOYSA-N |
| MDL Number | MFCD19226481 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CC(C1C(=O)NCC1)C |
| Synonyms | 3-(propan-2-yl)pyrrolidin-2-one,
1314969-31-7,
3-Isopropylpyrrolidin-2-one,
SCHEMBL6727176,
AKOS006377307,
CS-0046445,
Z2583036327,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number