Name: Name:1H,4H,5H,6H,7H,8H-pyrrolo[3,2-c]azepine
Brand: Angene
SKU: AG01E71M
Rating: 90 (10 reviews)

1H,4H,5H,6H,7H,8H-pyrrolo[3,2-c]azepine

CAS No.:

50615-14-0

Catalog Number:

AG01E71M

Molecular Formula:

C8H12N2

Molecular Weight:

136.1943

Catalog Number:

AG01E71M

Chemical Name:

1H,4H,5H,6H,7H,8H-pyrrolo[3,2-c]azepine

CAS Number:

50615-14-0

Molecular Formula:

C8H12N2

Molecular Weight:

136.1943

MDL Number:

MFCD19218251

IUPAC Name:

1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepine

InChI:

InChI=1S/C8H12N2/c1-2-8-7(3-5-10-8)6-9-4-1/h3,5,9-10H,1-2,4,6H2

InChI Key:

KZZHROXXGRODGN-UHFFFAOYSA-N

SMILES:

C1CCc2c(CN1)cc[nH]2

Complexity:

114

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

136.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

136.198g/mol

Monoisotopic Mass:

136.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5