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Also known as: 63095-51-2, Brivaracetam intermediate 1, (4r)-4-propyloxolan-2-one, 2(3h)-furanone, dihydro-4-propyl-, (r)-, Lp4ge5vl92, (r)-4-propyl-dihydrofuran-2-one
Molecular Formula
C7H12O2
Molecular Weight
128.17  g/mol
InChI Key
NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
FDA UNII
LP4GE5VL92

CAS 63095-51-2
1 2D Structure

CAS 63095-51-2

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 Weight 128.17 g/mol
Molecular Formula C7H12O2
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.083729621 g/mol
Monoisotopic Mass128.083729621 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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