| CAS Number | 1016828-00-4 |
| Catalog Number | AG019MFV |
| Chemical Name | 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde |
| IUPAC Name | 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carbaldehyde |
| InChI | InChI=1S/C14H22N2O/c1-4-15-7-5-6-14(15)9-16-11(2)8-13(10-17)12(16)3/h8,10,14H,4-7,9H2,1-3H3 |
| InChI Key | BPXZUWKZDAPQMP-UHFFFAOYSA-N |
| MDL Number | MFCD02669932 |
| Molecular Formula | C14H22N2O |
| Molecular Weight | 234.3373 |
| SMILES | CCN1C(CN2C(C)=C(C=O)C=C2C)CCC1 |
| Synonyms | 1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde,
1016828-00-4,
CTK6F0027,
AC1Q3157,
AKOS000193346,
NE26665,
EN300-36064,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.343g/mol |
| Monoisotopic Mass | 234.173g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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