Basic information
- Standard SMILES
CNC(=O)c1[nH]c(C(C)(C)C)cc1N- InChIKey
KTSXWLMNJGBQGN-UHFFFAOYSA-N- Molecular formula
- C10H17N3O
- Average molar mass
- 195.26 g/mol
Names & identifiers
- Preferred name
- 2-(N-methylcarbamoyl)-3-amino-5-tert-butylpyrrole
- IUPAC
- 3-amino-5-tert-butyl-N-methyl-1H-pyrrole-2-carboxamide
Names & synonyms
SCHEMBL3244391KTSXWLMNJGBQGN-UHFFFAOYSA-N2-(N-methylcarbamoyl)-3-amino-5-tert-butylpyrrole
Database identifiers
- PubChem CID
- 18322385
- Nikkaji
- J1.465.231K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
4 records
Compound notes
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