Name: Name:tert-butyl 3-oxo-octahydro-1H-indole-1-carboxylate
Brand: Angene
SKU: AG01EJXQ
Rating: 90 (10 reviews)

tert-butyl 3-oxo-octahydro-1H-indole-1-carboxylate

CAS No.:

1784237-38-2

Catalog Number:

AG01EJXQ

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

Catalog Number:

AG01EJXQ

Chemical Name:

tert-butyl 3-oxo-octahydro-1H-indole-1-carboxylate

CAS Number:

1784237-38-2

Molecular Formula:

C13H21NO3

Molecular Weight:

239.3107

MDL Number:

MFCD28633182

IUPAC Name:

tert-butyl 3-oxo-3a,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate

InChI:

InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-8-11(15)9-6-4-5-7-10(9)14/h9-10H,4-8H2,1-3H3

InChI Key:

RFOYQHUATFKSIW-UHFFFAOYSA-N

SMILES:

O=C1CN(C2C1CCCC2)C(=O)OC(C)(C)C

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.315g/mol

Monoisotopic Mass:

239.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2