Synonyms
RTR-035855; AKOS025294651; J-009900; AKOS028109567; CTK8B2814; ANW-41095;
IUPAC Name
cyclopenta-1,3-diene;(4S)-2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidin-3-ide;iron(2+);
Molecular Weight
307.25
Molecular Formula
C₁₆H₁₉FeNO
Canonical SMILES
CC(C)C1COC(=C2C=CC=C2)[N-]1.[CH-]1C=CC=C1.[Fe+2];
InChI
InChI=1S/C11H14NO.C5H5.Fe/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;/h3-6,8,10H,7H2,1-2H3;1-5H;/q2*-1;+2/t10-;;/m1../s1;
InChI Key
MOTUFOCNRSDOMK-YQFADDPSSA-N;
Complexity
284
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
1
Exact Mass
297.082g/mol
H-Bond Acceptor
3
Heavy Atom Count
19
Monoisotopic Mass
297.082g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
10.2A^2
