Cas no 96914-00-0 (2-Pyrrolidinecarboxaldehyde,5-oxo-, (2S)-)
96914-00-0 structure
Product Name:2-Pyrrolidinecarboxaldehyde,5-oxo-, (2S)-
CAS No:96914-00-0
MF:C5H7NO2
MW:113.114581346512
CID:808777
PubChem ID:130336
Update Time:2025-04-19
2-Pyrrolidinecarboxaldehyde,5-oxo-, (2S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinecarboxaldehyde,5-oxo-, (2S)-
- 5-oxoprolinal
- 5-Oxoproline aldehyde
- DTXSID60914255
- 2-Pyrrolidinecarboxaldehyde, 5-oxo-, (S)-
- 96914-00-0
- (2S)-5-Oxo-2-pyrrolidinecarbaldehyde
- NS00069948
- SCHEMBL3194607
- PD059419
- (2s)-5-oxopyrrolidine-2-carbaldehyde
- (S)-5-Oxopyrrolidine-2-carbaldehyde
- 5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carbaldehyde
- 5-Ketoprolinal
- DB03901
- 5-Oxo-Pyrrolidine-2-Carbaldehyde
-
- Inchi： 1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1
- InChI Key： XBGYMVTXOUKXLG-BYPYZUCNSA-N
- SMILES： O=C1CC[C@@H](C=O)N1
Computed Properties
- Exact Mass: 113.047678466g/mol
- Monoisotopic Mass: 113.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 122
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 46.2?2
2-Pyrrolidinecarboxaldehyde,5-oxo-, (2S)- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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