Methyl 3-Methylpyrrole-2-carboxylate - CAS 40611-69-6
Catalog: |
BB024582 |
Product Name: |
Methyl 3-Methylpyrrole-2-carboxylate |
CAS: |
40611-69-6 |
Synonyms: |
3-methyl-1H-pyrrole-2-carboxylic acid methyl ester; methyl 3-methyl-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 3-methyl-1H-pyrrole-2-carboxylate |
Description: | Methyl 3-Methylpyrrole-2-carboxylate (CAS# 40611-69-6) is a useful research chemical. |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | CC1=C(NC=C1)C(=O)OC |
InChI: | InChI=1S/C7H9NO2/c1-5-3-4-8-6(5)7(9)10-2/h3-4,8H,1-2H3 |
InChI Key: | YYBQAWKPLZMZEU-UHFFFAOYSA-N |
LogP: | 1.10970 |
Publication Number | Title | Priority Date |
US-2021323947-A1 | Antiviral 1,3-di-oxo-indene compounds | 20200420 |
AU-2017315863-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
AU-2017315863-B2 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
AU-2020203499-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
CA-3033681-A1 | Substituted pyrrolizine compounds and uses thereof | 20160826 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.06332853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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