Basic information
- CAS
50992-34-2- Standard SMILES
O=C1C(n2ccc(=O)[nH]c2=O)CCN1CCCl- InChIKey
DHLWVYYTUWXYGY-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O3
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0567189
Names & identifiers
- Preferred name
- 1-[1-(2-Chloroethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[1-(2-chloroethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4-dione
- English name
- 1-[1-(2-chloroethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4(1H,3H)-dione
- Molecular formula
- C10H12ClN3O3
- Molecular weight
- 257.67358
Names & synonyms
50992-34-21-[1-(2-chloroethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4-dione1-[1-(2-chloroethyl)-2-oxopyrrolidin-3-yl]pyrimidine-2,4(1H,3H)-dioneNSC364039AO-801/41077564SCHEMBL19370619DTXSID90320764SBB101913NSC-3640391-[1-(2-chloroethyl)-2-oxo-pyrrolidin-3-yl]pyrimidine-2,4-dione1-[1-(2-chloroethyl)-2-oxopyrrolidin-3-yl]-1,3-dihydropyrimidine-2,4-dione
Database identifiers
- CAS
50992-34-2- PubChem CID
- 339094
- DTXSID
DTXSID90320764
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 396
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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