2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
Basic information
- CAS
499100-21-9- Standard SMILES
CCCOc1ccc(N2C(=O)CC(NCC#N)C2=O)cc1- InChIKey
DZLMGZKUMANCAO-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- 2-[[2,5-Dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
- IUPAC
- 2-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile
Names & synonyms
499100-21-92-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]acetonitrile2-((2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl)amino)acetonitrile[2,5-Dioxo-1-(4-propoxy-phenyl)-pyrrolidin-3-ylamino]-acetonitrileMLS001207654CHEMBL1727032DTXSID501323474HMS2843G21MFCD01625522STK017869AKOS000587664AKOS022081051
Show more names
SMR000515614ZINC000018276618ZINC000100560599CCCOc1ccc(cc1)N1C(=O)CC(C1=O)NCC#NCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N(25DIOXO1(4PROPOXYPHENYL)PYRROLIDIN3YLAMINO)ACETONITRILE((25DIOXO1(4PROPOXYPHENYL)PYRROLIDIN3YL)AMINO)ACETONITRILE{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino}acetonitrile
Database identifiers
- CAS
499100-21-9- PubChem CID
- 2867484
- DTXSID
DTXSID501323474- ChEMBL
CHEMBL1727032
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
Solubility41 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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