1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4R)-4-propyloxolan-2-one

2.1.2 InChI

InChI=1S/C7H12O2/c1-2-3-6-4-7(8)9-5-6/h6H,2-5H2,1H3/t6-/m1/s1

2.1.3 InChI Key

NVTUTJMZAZZKAZ-ZCFIWIBFSA-N

2.1.4 Canonical SMILES

CCCC1CC(=O)OC1

2.1.5 Isomeric SMILES

CCC[C@@H]1CC(=O)OC1

2.2 Other Identifiers

2.2.1 UNII

LP4GE5VL92

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 63095-51-2

2. Brivaracetam Intermediate 1

3. (4r)-4-propyloxolan-2-one

4. 2(3h)-furanone, Dihydro-4-propyl-, (r)-

5. Lp4ge5vl92

6. (r)-4-propyl-dihydrofuran-2-one

7. (r)-dihydro-4-propyl-2(3h)-furanone

8. (+)-(r)-4-propyl-4,5-dihydrofuran-2(3h)-one

9. Unii-lp4ge5vl92

10. Schembl18263291

11. Amy16477

12. Mfcd29905061

13. Zinc34596195

14. (r)-dihydro-4-propylfuran-2(3h)-one

15. S10720

16. Ac-29290

17. Ds-19249

18. Cs-0090076

19. A857888

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂O₂
Molecular Weight	128.17 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	128.083729621 g/mol
Monoisotopic Mass	128.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 63095-51-2

CAS 63095-51-2

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