1-Cinnamoylpyrrole

CAT: 0926-CKA24889-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-CKA24889-01Size:1 mg

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CAS Number

252248-89-8

MDL Number

MFCD28015706

Smiles

C1=CC=C (C=C1) C=CC (=O) N2C=CC=C2

Molecular Formula

C13H11NO

Molecular Weight

197.23 g/mol

Controlled

Chemical Information

1-Cinnamoylpyrrole

CAS Number	252248-89-8
PubChem CID	11435543
IUPAC Name	(E)-3-phenyl-1-pyrrol-1-ylprop-2-en-1-one
Molecular Formula	C13H11NO
Molecular Weight	197.23
XLogP	2.6
Topological Polar Surface Area	22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	235

SMILES

C1=CC=C(C=C1)/C=C/C(=O)N2C=CC=C2

InChI

InChI=1S/C13H11NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-11H/b9-8+

InChIKey

HDEBNIVZHWCOPZ-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 252248-89-8

CID: 11435543

Formula: C13H11NO

MW: 197.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	197.084063974
Monoisotopic Mass	197.084063974
Topological Polar Surface Area	22 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OF59775-01	1,1,1,1,1-Kestoheptaose
OK59466-01	1,1,1,1-Kestohexose
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
FT77421-01	1,1,1-Trifluorobutane
FT78177-01	1,1,1-Trifluoronitroethane
OK32473-01	1,1,1-Kestopentaose
QEA91330-01	1,1'- (Bicyclo[1.1.1]pentane-1,3-diyl) diethanone
FB33678-01	1,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid

Catalog	Name
MBS5761172	1-Cinnamoylpyrrole
HY-N1619	N-Cinnamoylpyrrole
297272-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1