5-[Methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one
Basic information
- CAS
75812-69-0- Standard SMILES
CN(CC#CCN(C)C1=NC(=O)CC1)C1=NC(=O)CC1- InChIKey
KABBKUMIXCHYAQ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2
- Average molar mass
- 274.32 g/mol
- Monoisotopic mass
- 274.14297583
Names & identifiers
- Preferred name
- 5-[Methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one
- IUPAC
- 5-[methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one
Names & synonyms
5-[methyl-[4-[methyl-(5-oxo-3,4-dihydropyrrol-2-yl)amino]but-2-ynyl]amino]-3,4-dihydropyrrol-2-one75812-69-0NSC363837DTXSID80320718NSC-363837DS-0056465,5'-[But-2-yne-1,4-diylbis(methylazanediyl)]di(3,4-dihydro-2H-pyrrol-2-one)
Database identifiers
- CAS
75812-69-0- PubChem CID
- 338962
- DTXSID
DTXSID80320718
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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