Name: Name:3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile
Brand: AABLOCKS
SKU: AA00GVDL
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GVDL

Chemical Name: 3-Oxo-3-(1h-pyrrol-2-yl)propanenitrile

CAS Number: 90908-89-7

Molecular Formula: C7H6N2O

Molecular Weight: 134.1353

MDL Number: MFCD07369265

SMILES: N#CCC(=O)c1ccc[nH]1

Properties

Form: Solid

MP: 75-77°C

Complexity: 179

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.8

Downstream Synthesis Route

109-97-7

372-09-8

90908-89-7

[1]Slaett,Johnny;Romero,Ivan;Bergman,Jan[Synthesis,2004,#16,p.2760-2765]

[2]Andicsovà-Eckstein,Anita;Kozma,Erika;Végh,Daniel[JournalofHeterocyclicChemistry,2016,vol.53,#6,p.1945-1949]

[3]Tarleton,Mark;Dyson,Lauren;Gilbert,Jayne;Sakoff,JennetteA.;McCluskey,Adam[BioorganicandMedicinalChemistry,2013,vol.21,#1,p.333-347]

[4]Gordon,ChristopherP.;Hizartzidis,Lacey;Tarleton,Mark;Sakoff,JennetteA.;Gilbert,Jayne;Campbell,BronwynE.;Gasser,RobinB.;McCluskey,Adam[MedChemComm,2014,vol.5,#2,p.159-164]

[5]Hadiyal,S.D.;Joshi,H.S.;Kalavadiya,P.L.;Lalpara,J.N.;Parmar,N.D.[RussianJournalofOrganicChemistry,2020,vol.56,#4,p.671-678][Zh.Org.Khim.,2020,vol.56,#4,p.671-678,8]

[6]Hassaneen,HuwaidaM.E.[SyntheticCommunications,2007,vol.37,#20,p.3579-3588]

[7]Cardoso,AnaLucia;Gimeno,Lourdes;Lemos,Americo;Palacios,Francisco;PinhoEMelo,TeresaM.V.D.[JournalofOrganicChemistry,2013,vol.78,#14,p.6983-6991]

545-06-2

90908-89-7

3-amino-4,4,4-trichloro-2-(pyrrole-2-carbonyl)-but-2-enenitrile

[1]Hassaneen,HuwaidaM.E.[SyntheticCommunications,2007,vol.37,#20,p.3579-3588]

100-34-5

90908-89-7

958886-66-3

[1]Hassaneen,HuwaidaM.E.[SyntheticCommunications,2007,vol.37,#20,p.3579-3588]

2028-74-2

90908-89-7