| CAS Number | 1019533-47-1 |
| Catalog Number | AG01ARI7 |
| Chemical Name | 1-cyclopentanecarbonyl-2,3-dihydro-1H-indol-6-amine |
| IUPAC Name | (6-amino-2,3-dihydroindol-1-yl)-cyclopentylmethanone |
| InChI | InChI=1S/C14H18N2O/c15-12-6-5-10-7-8-16(13(10)9-12)14(17)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,15H2 |
| InChI Key | JYAZWZSSQVPWDK-UHFFFAOYSA-N |
| MDL Number | MFCD11137570 |
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.3055 |
| SMILES | NC1=CC2=C(CCN2C(C2CCCC2)=O)C=C1 |
| Synonyms | 1-(cyclopentylcarbonyl)indolin-6-amine,
1019533-47-1,
F2189-0310,
ZINC19874700,
AKOS000223552,
MCULE-9442080665,
L-4905,
1-cyclopentanecarbonyl-2,3-dihydroindol-6-amine,
1-cyclopentanecarbonyl-2,3-dihydro-1H-indol-6-amine,
(6-amino-2,3-dihydroindol-1-yl)-cyclopentylmethanone,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.311g/mol |
| Monoisotopic Mass | 230.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number