Basic information
- CAS
27778-66-1- Standard SMILES
CCC(C)c1[nH]c(O)c(C(C)=O)c1O- InChIKey
BBSRHOHIYMGKJH-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-
- IUPAC
- 1-(5-butan-2-yl-2,4-dihydroxy-1H-pyrrol-3-yl)ethanone
Names & synonyms
Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl-RefChem:1097569BRN 00084852,4-Pyrrolidinedione, 3-acetyl-5-sec-butyl-3-Acetyl-2,4-dihydroxy-5-(1-methylpropyl)pyrrole2,4-Pyrrolidinedione, 3-acetyl-5-(1-methylpropyl)-, (5S-(5R*(R*)))-5-21-11-00555 (Beilstein Handbook Reference)
Database identifiers
- CAS
27778-66-1- PubChem CID
- 147185
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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