cyclopenta-1,3-diene;formaldehyde;iron

C7H9FeO2- — CID 87235438

IUPACcyclopenta-1,3-diene;formaldehyde;iron
SMILESC=O.C=O.[C-]1=CC=CC1.[Fe]
InChIInChI=1S/C5H5.2CH2O.Fe/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;
InChIKeyDWHUKXMAAAXKAQ-UHFFFAOYSA-N
MW180.99 g/mol
LogP0.93
Rot. Bonds

About cyclopenta-1,3-diene;formaldehyde;iron

cyclopenta-1,3-diene;formaldehyde;iron (PubChem CID 87235438) has the molecular formula C7H9FeO2- and a molecular weight of 180.99 g/mol. Its IUPAC name is cyclopenta-1,3-diene;formaldehyde;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;formaldehyde;iron
PubChem CID87235438
Molecular FormulaC7H9FeO2-
Molecular Weight180.99 g/mol
Exact Mass181.00
IUPAC Namecyclopenta-1,3-diene;formaldehyde;iron
SMILESC=O.C=O.[C-]1=CC=CC1.[Fe]
InChIInChI=1S/C5H5.2CH2O.Fe/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;
InChIKeyDWHUKXMAAAXKAQ-UHFFFAOYSA-N
XLogP0.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.99
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chromium;cyclopenta-1,3-diene;formaldehyde
CID 88762520
cyclopenta-1,3-diene;formaldehyde;tungsten
CID 88762361
carbanide;cyclopenta-1,3-diene;formaldehyde;iridium
CID 173408037
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
cobalt;cyclopenta-1,3-diene;ethene
CID 173205523
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;formaldehyde;iron?
The IUPAC name of cyclopenta-1,3-diene;formaldehyde;iron (CID 87235438) is cyclopenta-1,3-diene;formaldehyde;iron.
What is the SMILES notation for cyclopenta-1,3-diene;formaldehyde;iron?
The canonical SMILES for cyclopenta-1,3-diene;formaldehyde;iron is C=O.C=O.[C-]1=CC=CC1.[Fe].
What is the InChIKey of cyclopenta-1,3-diene;formaldehyde;iron?
The InChIKey is DWHUKXMAAAXKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2CH2O.Fe/c1-2-4-5-3-1;2*1-2;/h1-3H,4H2;2*1H2;/q-1;;;.
What are the key properties of cyclopenta-1,3-diene;formaldehyde;iron?
cyclopenta-1,3-diene;formaldehyde;iron has a molecular weight of 180.99 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;formaldehyde;iron is sourced from PubChem (CID 87235438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).