Name: Name:1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)cyclobutane-1-carbonitrile
Brand: Angene
SKU: AG01AFFR
Rating: 90 (10 reviews)

1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)cyclobutane-1-carbonitrile

CAS No.:

1803580-82-6

Catalog Number:

AG01AFFR

Molecular Formula:

C13H10N2O2

Molecular Weight:

226.2307

Catalog Number:

AG01AFFR

Chemical Name:

1-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)cyclobutane-1-carbonitrile

CAS Number:

1803580-82-6

Molecular Formula:

C13H10N2O2

Molecular Weight:

226.2307

MDL Number:

MFCD27980640

IUPAC Name:

1-(1,3-dioxoisoindol-2-yl)cyclobutane-1-carbonitrile

InChI:

InChI=1S/C13H10N2O2/c14-8-13(6-3-7-13)15-11(16)9-4-1-2-5-10(9)12(15)17/h1-2,4-5H,3,6-7H2

InChI Key:

AOMHWFZICCVJLJ-UHFFFAOYSA-N

SMILES:

N#CC1(CCC1)N1C(=O)c2c(C1=O)cccc2

Complexity:

406

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.235g/mol

Monoisotopic Mass:

226.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4