Chemical Components in the PDB

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F2M : Summary

Code

F2M

One-letter code

X

Molecule name

(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine

Formula

C9 H13 N O

Formal charge

0

Molecular weight

151.206 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC=CN(C)Cc1occc1
SMILES OpenEye OEToolkits 2.0.6 CC=CN(C)Cc1ccco1
Canonical SMILES CACTVS 3.385 C\C=C\N(C)Cc1occc1
Canonical SMILES OpenEye OEToolkits 2.0.6 C/C=C/N(C)Cc1ccco1

IUPAC InChI

InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+

IUPAC InChI key

DBDADMSUVDNQKI-ZZXKWVIFSA-N
F2M

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-01-03

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned