1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethanamine

2.1.2 InChI

InChI=1S/C13H15NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-5H,1-2,6-8,14H2

2.1.3 InChI Key

RYYNBBSULBXPJL-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1029134-74-4

2. Schembl338471

3. Ryynbbsulbxpjl-uhfffaoysa-n

4. 2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)-ethanamine

5. Akos030241706

6. Db-301617

7. 2-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-ylidene)ethylamine

8. 2-(1,2,6,7,-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)ethylamine

9. 2-(1,6,7,8-tetrahydro-2h-indeno(5,4-b]furan-8-ylidene)-ethylamine

2.3 Create Date

2011-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅NO
Molecular Weight	201.26 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	35.3
Heavy Atom Count	15
Formal Charge	0
Complexity	274
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

CAS 1029134-74-4