1-Boc-1H-pyrrole-3-carbaldehyde - CAS 209216-57-9
Catalog: |
BB016423 |
Product Name: |
1-Boc-1H-pyrrole-3-carbaldehyde |
CAS: |
209216-57-9 |
Synonyms: |
3-formyl-1-pyrrolecarboxylic acid tert-butyl ester; tert-butyl 3-formylpyrrole-1-carboxylate |
IUPAC Name: | tert-butyl 3-formylpyrrole-1-carboxylate |
Description: | 1-Boc-1H-pyrrole-3-carbaldehyde (CAS# 209216-57-9 ) is a useful research chemical. |
Molecular Weight: | 195.22 |
Molecular Formula: | C10H13NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=CC(=C1)C=O |
InChI: | InChI=1S/C10H13NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h4-7H,1-3H3 |
InChI Key: | SRCROGUSYNRTRE-UHFFFAOYSA-N |
LogP: | 2.08380 |
Publication Number | Title | Priority Date |
CN-112812100-A | Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof | 20191118 |
EA-032577-B1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EP-3016934-A2 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
EP-3016934-B1 | Heteroaryl compounds useful as inhibitors of sumo activating enzyme | 20130702 |
JP-2016523925-A | Heteroaryl compounds useful as SUMO activating enzyme inhibitors | 20130702 |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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