5-Ethenyl-Pyrrolidin-2-One

Synopsis, Chemistry

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Also known as: 149427-84-9, 5-(2-hydroxy-ethyl)-pyrrolidin-2-one, 5-hydroxyethylpyrrolidone, Schembl2984521, Dtxsid70445924, Akos006329825

Molecular Formula

C₆H₁₁NO₂

Molecular Weight

129.16 g/mol

InChI Key

GPVDPHDTYDBCAI-UHFFFAOYSA-N

1 2D Structure

5-Ethenyl-Pyrrolidin-2-One

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(2-hydroxyethyl)pyrrolidin-2-one

2.1.2 InChI

InChI=1S/C6H11NO2/c8-4-3-5-1-2-6(9)7-5/h5,8H,1-4H2,(H,7,9)

2.1.3 InChI Key

GPVDPHDTYDBCAI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(=O)NC1CCO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149427-84-9

2. 5-(2-hydroxy-ethyl)-pyrrolidin-2-one

3. 5-hydroxyethylpyrrolidone

4. Schembl2984521

5. Dtxsid70445924

6. Akos006329825

7. At18821

8. Db-063804

9. Cs-0215642

10. Ft-0742977

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁NO₂
Molecular Weight	129.16 g/mol
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	129.078978594 g/mol
Monoisotopic Mass	129.078978594 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1