Completing data — usually done within a minute
Basic information
- CAS
77716-18-8- Standard SMILES
Cn1cc(NC=O)cc1C(=O)O- InChIKey
XAVWPZFTBAQHKX-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- 1-Methyl-4-formylamino-2-pyrrolecarboxylic acid
- IUPAC
- 4-formamido-1-methylpyrrole-2-carboxylic acid
Names & synonyms
1-methyl-4-formylamino-2-pyrrolecarboxylic acid77716-18-84-formamido-1-methylpyrrole-2-carboxylic acid4-formamido-1-methyl-1H-pyrrole-2-carboxylic acidSCHEMBL4855585DTXSID30433701XAVWPZFTBAQHKX-UHFFFAOYSA-N
Database identifiers
- CAS
77716-18-8- PubChem CID
- 9989609
- DTXSID
DTXSID30433701- Nikkaji
- J2.572.186A
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
3 records
Compound notes
Loading…