1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(furan-2-yl)prop-2-enenitrile

2.1.2 InChI

InChI=1S/C7H5NO/c8-5-1-3-7-4-2-6-9-7/h1-4,6H

2.1.3 InChI Key

ZHKAQNFBQHPERX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=COC(=C1)C=CC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3-(furan-2-yl)prop-2-enenitrile

2. (e)-3-(furan-2-yl)acrylonitrile

3. Furanacrylonitrile

4. (2e)-3-(furan-2-yl)prop-2-enenitrile

5. Schembl247148

6. Dtxsid50871186

7. Zhkaqnfbqhperx-uhfffaoysa-n

8. Sb61038

9. Db-055580

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅NO
Molecular Weight	119.12 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	36.9
Heavy Atom Count	9
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

2-Furanacrylonitrile, (E)-