Cas no 73181-16-5 (Propanedioic acid, 2-pyrrolidinylidene-, diethyl ester)
73181-16-5 structure
Product Name:Propanedioic acid, 2-pyrrolidinylidene-, diethyl ester
CAS No:73181-16-5
MF:C11H17NO4
MW:227.2569835186
CID:542909
PubChem ID:12592706
Update Time:2025-04-19
Propanedioic acid, 2-pyrrolidinylidene-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 2-pyrrolidinylidene-, diethyl ester
- diethyl 2-pyrrolidin-2-ylidenepropanedioate
- DTXSID20503669
- SCHEMBL22511454
- 73181-16-5
- Diethyl (pyrrolidin-2-ylidene)propanedioate
-
- Inchi： 1S/C11H17NO4/c1-3-15-10(13)9(11(14)16-4-2)8-6-5-7-12-8/h12H,3-7H2,1-2H3
- InChI Key： IMHXEOPFSUQKMK-UHFFFAOYSA-N
- SMILES： O(CC)C(/C(/C(=O)OCC)=C1/CCCN/1)=O
Computed Properties
- Exact Mass: 227.11575802g/mol
- Monoisotopic Mass: 227.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 64.6?2
Propanedioic acid, 2-pyrrolidinylidene-, diethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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