Chemical Components in the PDB

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2N0 : Summary

Code

2N0

One-letter code

X

Molecule name

1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one
OpenEye OEToolkits 1.9.2 2-ethyl-1-(phenylmethyl)-6,7-dihydro-5H-indol-4-one

Formula

C17 H19 N O

Formal charge

0

Molecular weight

253.339 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2c1cc(n(c1CCC2)Cc3ccccc3)CC
SMILES CACTVS 3.385 CCc1cc2C(=O)CCCc2n1Cc3ccccc3
SMILES OpenEye OEToolkits 1.9.2 CCc1cc2c(n1Cc3ccccc3)CCCC2=O
Canonical SMILES CACTVS 3.385 CCc1cc2C(=O)CCCc2n1Cc3ccccc3
Canonical SMILES OpenEye OEToolkits 1.9.2 CCc1cc2c(n1Cc3ccccc3)CCCC2=O

IUPAC InChI

InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3

IUPAC InChI key

WAZKIRPFJTZRDA-UHFFFAOYSA-N
2N0

wwPDB Information

Atom count

38 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-04-17

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned