Name: Name:1H,2H,3H,4H,5H,11H,11aH-[1,4]diazepino[1,2-a]indole
Brand: Angene
SKU: AG01BBXS
Rating: 90 (10 reviews)

1H,2H,3H,4H,5H,11H,11aH-[1,4]diazepino[1,2-a]indole

CAS No.:

67177-54-2

Catalog Number:

AG01BBXS

Molecular Formula:

C12H16N2

Molecular Weight:

188.2688

Catalog Number:

AG01BBXS

Chemical Name:

1H,2H,3H,4H,5H,11H,11aH-[1,4]diazepino[1,2-a]indole

CAS Number:

67177-54-2

Molecular Formula:

C12H16N2

Molecular Weight:

188.2688

MDL Number:

MFCD20661938

IUPAC Name:

2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,2-a]indole

InChI:

InChI=1S/C12H16N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-2,4-5,11,13H,3,6-9H2

InChI Key:

KWCXBDNAWJYLHS-UHFFFAOYSA-N

SMILES:

C1NCC2N(CC1)c1c(C2)cccc1

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.274g/mol

Monoisotopic Mass:

188.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8