Chemical Components in the PDB

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6FG : Summary

Code

6FG

One-letter code

X

Molecule name

3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 3-(furan-3-yl)-1-(pyrrolidin-1-yl)propan-1-one
OpenEye OEToolkits 2.0.4 3-(furan-3-yl)-1-pyrrolidin-1-yl-propan-1-one

Formula

C11 H15 N O2

Formal charge

0

Molecular weight

193.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N1CCCC1)CCc2ccoc2
SMILES CACTVS 3.385 O=C(CCc1cocc1)N2CCCC2
SMILES OpenEye OEToolkits 2.0.4 c1cocc1CCC(=O)N2CCCC2
Canonical SMILES CACTVS 3.385 O=C(CCc1cocc1)N2CCCC2
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cocc1CCC(=O)N2CCCC2

IUPAC InChI

InChI=1S/C11H15NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h5,8-9H,1-4,6-7H2

IUPAC InChI key

SGKPSOSDSZDXFD-UHFFFAOYSA-N
6FG

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-03-30

Last modified at

2017-03-24

Status

Released

Obsoleted

Not Assigned