(2E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide
PubChem CID: 871734
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| Compound Synonyms | CHEMBL1575961, MLS001185453, SCHEMBL13271655, HMS2826E13, BDBM50401981, STK034382, AKOS002987513, SMR000503032, AB00088786-01, SR-01000212842, SR-01000212842-1, (e)-3-(benzo[d][1,3]dioxol-5-yl)-N-cyclopentylacrylamide, (2E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide, (E)-3-(1,3-BENZODIOXOL-5-YL)-N-CYCLOPENTYL-2-PROPENAMIDE |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q194T2, P51450, Q16236, Q96QE3, P08659, P38398, P63092, P01215, P27338, P21397 |
| Iupac Name | (E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide |
| Prediction Hob | 1.0 |
| Target Id | NPT582 |
| Xlogp | 3.1 |
| Molecular Formula | C15H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SLFOTQIGIXJPPD-SOFGYWHQSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.794 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.294 |
| Compound Name | (2E)-3-(1,3-benzodioxol-5-yl)-N-cyclopentylprop-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 259.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 259.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6916752105263155 |
| Inchi | InChI=1S/C15H17NO3/c17-15(16-12-3-1-2-4-12)8-6-11-5-7-13-14(9-11)19-10-18-13/h5-9,12H,1-4,10H2,(H,16,17)/b8-6+ |
| Smiles | C1CCC(C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all