iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C11H16FeO — CID 174537314

IUPACiron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[CH-]=O.[Fe+2]
InChIInChI=1S/C10H15.CHO.Fe/c1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-5H3;1H;/q2*-1;+2
InChIKeyGEXHEGZCWYNSHZ-UHFFFAOYSA-N
MW220.09 g/mol
LogP2.67
Rot. Bonds

About iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 174537314) has the molecular formula C11H16FeO and a molecular weight of 220.09 g/mol. Its IUPAC name is iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameiron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID174537314
Molecular FormulaC11H16FeO
Molecular Weight220.09 g/mol
Exact Mass220.06
IUPAC Nameiron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[CH-]=O.[Fe+2]
InChIInChI=1S/C10H15.CHO.Fe/c1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-5H3;1H;/q2*-1;+2
InChIKeyGEXHEGZCWYNSHZ-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 174537314) is iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[CH-]=O.[Fe+2].
What is the InChIKey of iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is GEXHEGZCWYNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.CHO.Fe/c1-6-7(2)9(4)10(5)8(6)3;1-2;/h1-5H3;1H;/q2*-1;+2.
What are the key properties of iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 220.09 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);methanone;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 174537314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).