Brivaracetam Alkene Analog

CAT: 1596-AR-B05735-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B05735-01Size:10 Units

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CAS Number

357338-13-7

Synonyms

(S) -2- (2-Oxo-4-propyl-2,5-dihydro-1H-pyrrol-1-yl) butanamide

Molecular Formula

C11H18N2O2

Molecular Weight

210.28

API Name

Brivaracetam

Chemical Information

(S)-2-(5-Oxo-3-propyl-1,2-dihydropyrrol-1-yl) butyramide

CAS Number	357338-13-7
PubChem CID	60105800
IUPAC Name	(2S)-2-(5-oxo-3-propyl-2H-pyrrol-1-yl)butanamide
Molecular Formula	C11H18N2O2
Molecular Weight	210.27
XLogP	0.6
Topological Polar Surface Area	63.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	297

SMILES

CCCC1=CC(=O)N(C1)[C@@H](CC)C(=O)N

InChI

InChI=1S/C11H18N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h6,9H,3-5,7H2,1-2H3,(H2,12,15)/t9-/m0/s1

InChIKey

IQLREUGNYAURPM-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 357338-13-7

CID: 60105800

Formula: C11H18N2O2

MW: 210.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.27
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	210.136827821
Monoisotopic Mass	210.136827821
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	297
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
Compound Is Canonicalized	Yes