1-Cyclopentenecarbonitrile

CAT: 0024-sc-264798Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-264798Size:1 g

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CAS Number

3047-38-9

Chemical Information

1-Cyclopentene-1-carbonitrile

CAS Number	3047-38-9
PubChem CID	137808
IUPAC Name	cyclopentene-1-carbonitrile
Molecular Formula	C6H7N
Molecular Weight	93.13
XLogP	1.4
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	136

SMILES

C1CC=C(C1)C#N

InChI

InChI=1S/C6H7N/c7-5-6-3-1-2-4-6/h3H,1-2,4H2

InChIKey

XBVZRFXCDCYXAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3047-38-9

CID: 137808

Formula: C6H7N

MW: 93.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	93.13
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	93.057849228
Monoisotopic Mass	93.057849228
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
sc-345120	1- (phenylsulfonyl) cyclopentanecarbonitrile
sc-345120A	1- (phenylsulfonyl) cyclopentanecarbonitrile
sc-297433A	1- (4-Bromophenyl) cyclopentanecarbonitrile
sc-281883	1- (4-methoxyphenyl) cyclopentanecarbonitrile
sc-297433	1- (4-Bromophenyl) cyclopentanecarbonitrile
sc-357325	Cyclopentanecarbonitrile
sc-357325A	Cyclopentanecarbonitrile
sc-501243	2-[[ (6-Chloro-3-pyridinyl) methyl]amino]cyclopentanecarbonitrile
sc-476086	1,1,1-Trichloroacetone
sc-258860	1,1,1-Trichlorotrifluoroacetone

Catalog	Name
OR1043880-01	1-Cyclopentenecarbonitrile
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
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone