Prolinamidoethyl Imidazole

CAT: 1330-169283-82-3Size: EachDry Ice: NoHazardous: No

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CAT#:1330-169283-82-3Size:Each

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CAS Number

169283-82-3

Chemical Information

Prolinamidoethyl imidazol

CAS Number	169283-82-3
PubChem CID	15296546
IUPAC Name	(2S)-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
Molecular Formula	C10H16N4O
Molecular Weight	208.26
XLogP	-0.2
Topological Polar Surface Area	69.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	221

SMILES

C1C[C@H](NC1)C(=O)NCCC2=CN=CN2

InChI

InChI=1S/C10H16N4O/c15-10(9-2-1-4-12-9)13-5-3-8-6-11-7-14-8/h6-7,9,12H,1-5H2,(H,11,14)(H,13,15)/t9-/m0/s1

InChIKey

NTSCIJOQEQIATB-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 169283-82-3

CID: 15296546

Formula: C10H16N4O

MW: 208.26

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	208.26
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.13241115
Monoisotopic Mass	208.13241115
Topological Polar Surface Area	69.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	221
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

Catalog	Name
169283-81-2	Glutamylamidoethyl Imidazole

Catalog	Name
GB9580-2500g	Imidazole