Synonyms
217459-10-4;(R)-PPY IRON;(S)-PPY IRON;(R)-PPY;(S)-PPY;SC11499;(R)-(+)-4-PYRROLIDINOPYRINDINYL(PENTAMETHYLCYCLOPENTADIENYL) IRON;
IUPAC Name
iron;1,2,3,4,5-pentamethylcyclopentane;4-pyrrolidin-1-ylcyclopenta[b]pyridine;
Molecular Weight
376.325g/mol
Molecular Formula
C22H28FeN2;
Canonical SMILES
C[C]1[C]([C]([C]([C]1C)C)C)C.C1CCN(C1)C2=CC=N[C]3[C]2[CH][CH][CH]3.[Fe];
InChI
InChI=1S/C12H13N2.C10H15.Fe/c1-2-9-14(8-1)12-6-7-13-11-5-3-4-10(11)12;1-6-7(2)9(4)10(5)8(6)3;/h3-7H,1-2,8-9H2;1-5H3;;
InChI Key
VEYBLEBWZYYQAE-UHFFFAOYSA-N;
Complexity
346
Covalently-Bonded Unit Count
3
Exact Mass
376.16g/mol
H-Bond Acceptor
2
Heavy Atom Count
25
Monoisotopic Mass
376.16g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
15.6A^2
