cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)

C19H15FeIO — CID 139234486

IUPACcyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
SMILES[Fe+2].[O-]/C(=C\C=C1C=CC=C1)c1ccc(I)cc1.c1cc[cH-]c1
InChIInChI=1S/C14H11IO.C5H5.Fe/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11;1-2-4-5-3-1;/h1-10,16H;1-5H;/q;-1;+2/p-1/b14-10-;;
InChIKeyADEAKMBMRWJDTR-UFMFWQRBSA-M
MW442.08 g/mol
LogP4.45
Rot. Bonds2

About cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)

cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+) (PubChem CID 139234486) has the molecular formula C19H15FeIO and a molecular weight of 442.08 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
PubChem CID139234486
Molecular FormulaC19H15FeIO
Molecular Weight442.08 g/mol
Exact Mass441.95
IUPAC Namecyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)
SMILES[Fe+2].[O-]/C(=C\C=C1C=CC=C1)c1ccc(I)cc1.c1cc[cH-]c1
InChIInChI=1S/C14H11IO.C5H5.Fe/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11;1-2-4-5-3-1;/h1-10,16H;1-5H;/q;-1;+2/p-1/b14-10-;;
InChIKeyADEAKMBMRWJDTR-UFMFWQRBSA-M
XLogP4.45
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-phenylprop-1-en-1-olate;iron(2+)
CID 57351793
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol
CID 139234487
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(2-hydroxy-4-methylphenyl)prop-1-en-1-olate;iron(2+)
CID 75579740
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylidene-1-(4-fluoro-2-hydroxyphenyl)prop-1-en-1-olate;iron(2+)
CID 157292063
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-6-methoxyphenyl)prop-1-en-1-olate;iron(2+)
CID 71592751
(Z)-1-(5-chloro-2-difluoroboranyloxyphenyl)-3-cyclopenta-2,4-dien-1-ylideneprop-1-en-1-olate;cyclopenta-1,3-diene;iron(2+)
CID 71592857
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-1-en-1-olate;iron(2+)
CID 71592851
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidenemethanediolate;iron(2+)
CID 175693136
cyclopenta-1,3-diene;2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenolate;iron(2+)
CID 78124780
(2-bromophenyl)-cyclopenta-2,4-dien-1-ylidenemethanolate;cyclopenta-1,3-diene;iron(2+)
CID 131722396
cyclopenta-1,3-diene;(4-cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-hydroxymethanolate
CID 90480818
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(2-sulfanylethylamino)methanolate;iron(2+)
CID 131724610

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+) (CID 139234486) is cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+) is [Fe+2].[O-]/C(=C\C=C1C=CC=C1)c1ccc(I)cc1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)?
The InChIKey is ADEAKMBMRWJDTR-UFMFWQRBSA-M. The full InChI is InChI=1S/C14H11IO.C5H5.Fe/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11;1-2-4-5-3-1;/h1-10,16H;1-5H;/q;-1;+2/p-1/b14-10-;;.
What are the key properties of cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+)?
cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+) has a molecular weight of 442.08 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-olate;iron(2+) is sourced from PubChem (CID 139234486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).