| CAS Number | 70882-10-9 |
| Catalog Number | AG005FOY(AGN-PC-0WB56N) |
| Chemical Name | 2-Propyl-2,5-dihydro-1H-pyrrole |
| IUPAC Name | 2-propyl-2,5-dihydro-1H-pyrrole |
| InChI | InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h3,5,7-8H,2,4,6H2,1H3 |
| InChI Key | AOTYBMVEFSQQPM-UHFFFAOYSA-N |
| MDL Number | MFCD11053960 |
| Molecular Formula | C7H13N |
| Molecular Weight | 111.1848 |
| SMILES | N1CC=CC1CCC |
| Synonyms | 2-PROPYL-2,5-DIHYDRO-1H-PYRROLE,
70882-10-9,
CTK5D3116,
DTXSID20500557,
MFCD11053960,
AKOS006309500,
Y-6557,
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| Complexity | 86.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.188g/mol |
| Monoisotopic Mass | 111.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number