ISDA: 5SC7

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: W2M

IUPAC Name: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1Nc2ccccc2C[C@]12CCCN2

InChI: InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1

InChI Key: ABOZUPQQWCLVDB-GFCCVEGCSA-N

Physiochemical Descriptor:

Formula: C12 H14 N2 O

Molecular weight: 202.252

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 0

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
OpenEye OEToolkits	2.0.7	(3~{R})-spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N3C2(Cc1c(cccc1)NC2=O)CCC3
InChI	InChI	1.03	InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m1/s1
InChIKey	InChI	1.03	ABOZUPQQWCLVDB-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C1Nc2ccccc2C[C@]13CCCN3
SMILES	CACTVS	3.385	O=C1Nc2ccccc2C[C]13CCCN3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)C[C@]3(CCCN3)C(=O)N2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC3(CCCN3)C(=O)N2

Chemical Database Mapping

Database	Reference ID
ChEMBL	CHEMBL5607609
PubChem	155294423