Cas no 881404-51-9 (2-Pyrrolidinone, 4-(phenylmethyl)-, (4S)-)
881404-51-9 structure
Product Name:2-Pyrrolidinone, 4-(phenylmethyl)-, (4S)-
CAS No:881404-51-9
MF:C11H13NO
MW:175.227022886276
CID:2852274
PubChem ID:28064589
Update Time:2025-04-21
2-Pyrrolidinone, 4-(phenylmethyl)-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90650957
- SCHEMBL22201217
- (4S)-4-Benzylpyrrolidin-2-one
- 2-Pyrrolidinone, 4-(phenylmethyl)-, (4S)-
- 881404-51-9
-
- Inchi： 1S/C11H13NO/c13-11-7-10(8-12-11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
- InChI Key： OKESWHAZOJRHIT-JTQLQIEISA-N
- SMILES： O=C1C[C@H](CC2C=CC=CC=2)CN1
Computed Properties
- Exact Mass: 175.099714038Da
- Monoisotopic Mass: 175.099714038Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 185
- 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: 1.5
- Topological Polar Surface Area: 29.1?2
2-Pyrrolidinone, 4-(phenylmethyl)-, (4S)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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