ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Basic information
- CAS
53720-95-9- Standard SMILES
CCOC(=O)C1=C(N)C(=O)N(Cc2ccccc2)C1- InChIKey
RPGUZVBNBVXTFL-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
- IUPAC
- ethyl 4-amino-1-benzyl-5-oxo-2H-pyrrole-3-carboxylate
- English name
- ethyl 4-aMino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
53720-95-9ethyl 4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylateethyl 4-amino-1-benzyl-5-oxo-2H-pyrrole-3-carboxylate4-Amino-2,5-dihydro-5-oxo-1-(phenylmethyl)-1H-pyrrole-3-carboxylic acid, ethyl esterMFCD02169285NSC670881H-Pyrrole-3-carboxylic acid, 4-amino-2,5-dihydro-5-oxo-1-(phenylmethyl)-, ethyl esterOprea1_542024SCHEMBL1839329DTXSID90290155CS1179NSC-67088
Show more names
AKOS024462419DA-33925ethyl4-amino-1-benzyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
Database identifiers
- CAS
53720-95-9- PubChem CID
- 249116
- DTXSID
DTXSID90290155- Nikkaji
- J1.931.437E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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