Name: Name:Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo-
Brand: Angene
SKU: AG000WUZ
Rating: 90 (10 reviews)

Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo-

CAS No.:

1272756-16-7

Catalog Number:

AG000WUZ

Molecular Formula:

C13H13N3O

Molecular Weight:

227.2618

Catalog Number:

AG000WUZ

Chemical Name:

Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo-

CAS Number:

1272756-16-7

Molecular Formula:

C13H13N3O

Molecular Weight:

227.2618

MDL Number:

MFCD18651729

IUPAC Name:

4-oxospiro[1,3-dihydroquinazoline-2,1'-cyclopentane]-5-carbonitrile

InChI:

InChI=1S/C13H13N3O/c14-8-9-4-3-5-10-11(9)12(17)16-13(15-10)6-1-2-7-13/h3-5,15H,1-2,6-7H2,(H,16,17)

InChI Key:

IROLGSVICKCBJQ-UHFFFAOYSA-N

SMILES:

N#Cc1cccc2c1C(=O)NC1(N2)CCCC1

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.267g/mol

Monoisotopic Mass:

227.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9