Cas no 131475-05-3 (1H-Pyrrole-2-carboxamide,3,5-dimethyl-)
131475-05-3 structure
Product Name:1H-Pyrrole-2-carboxamide,3,5-dimethyl-
CAS No:131475-05-3
MF:C7H10N2O
MW:138.167101383209
CID:102327
PubChem ID:14657231
Update Time:2025-04-18
1H-Pyrrole-2-carboxamide,3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxamide,3,5-dimethyl-
- 1H-Pyrrole-2-carboxamide,3,5-dimethyl-(9CI)
- AKOS006341536
- SCHEMBL17883332
- 3,5-dimethyl-1H-pyrrole-2-carboxamide
- 131475-05-3
-
- Inchi： 1S/C7H10N2O/c1-4-3-5(2)9-6(4)7(8)10/h3,9H,1-2H3,(H2,8,10)
- InChI Key： TZPYUTJMVLCBKD-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C)C=C(C)N1)N
Computed Properties
- Exact Mass: 138.0794
- Monoisotopic Mass: 138.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.88
1H-Pyrrole-2-carboxamide,3,5-dimethyl- Related Literature
-
Lucas J. Gutierrez,Marcela Vettorazzi,Jaka Dernov?ek,Martina Durcik,Lucija Peterlin Ma?i?,Tihomir Toma?i?,Ricardo D. Enriz New J. Chem. 2023 47 3692
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