cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron

C12H6FeO2-6 — CID 42619041

IUPACcyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron
SMILESO=C[c-]1[c-][c-][c-][c-]1.O=C[c-]1cccc1.[Fe]
InChIInChI=1S/C6H5O.C6HO.Fe/c2*7-5-6-3-1-2-4-6;/h1-5H;5H;/q-1;-5;
InChIKeyQYYMHDSUILPNMZ-UHFFFAOYSA-N
MW238.02 g/mol
LogP1.63
Rot. Bonds2

About cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron

cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron (PubChem CID 42619041) has the molecular formula C12H6FeO2-6 and a molecular weight of 238.02 g/mol. Its IUPAC name is cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron.

Molecular Properties

Compound Namecyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron
PubChem CID42619041
Molecular FormulaC12H6FeO2-6
Molecular Weight238.02 g/mol
Exact Mass237.98
IUPAC Namecyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron
SMILESO=C[c-]1[c-][c-][c-][c-]1.O=C[c-]1cccc1.[Fe]
InChIInChI=1S/C6H5O.C6HO.Fe/c2*7-5-6-3-1-2-4-6;/h1-5H;5H;/q-1;-5;
InChIKeyQYYMHDSUILPNMZ-UHFFFAOYSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.02
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
CID 15809045
cyclopenta-2,4-diene-1-carbaldehyde;cyclopentane;iron;thiophene-2,5-diamine
CID 174717998
bis(cyclopenta-1,3-diene);5-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene;iron
CID 24883653
acetaldehyde;manganese
CID 172998417
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethanone;iron
CID 11985923
cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
CID 161401239
3-chloro-5-(2-methylphenyl)sulfanylpyridine-4-carbaldehyde
CID 10801525
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
bromocyclopentane;3-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one;iron
CID 173240682
1,4-dichlorobenzene;formyl chloride
CID 174264230
iron(2+);bis(5-methylsulfanylcyclopenta-1,3-diene)
CID 15810019
diethylazanide;5-methylcyclopenta-1,3-diene;titanium(2+)
CID 172750424

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron?
The IUPAC name of cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron (CID 42619041) is cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron.
What is the SMILES notation for cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron?
The canonical SMILES for cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron is O=C[c-]1[c-][c-][c-][c-]1.O=C[c-]1cccc1.[Fe].
What is the InChIKey of cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron?
The InChIKey is QYYMHDSUILPNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O.C6HO.Fe/c2*7-5-6-3-1-2-4-6;/h1-5H;5H;/q-1;-5;.
What are the key properties of cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron?
cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron has a molecular weight of 238.02 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-diene-1-carbaldehyde;cyclopenta-2,4-diene-1-carbaldehyde;iron is sourced from PubChem (CID 42619041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).