1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene

C13H15FeO- — CID 172558213

IUPAC1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
SMILESCC(O)=C1C=CC=C1.C[c-]1cccc1.[Fe]
InChIInChI=1S/C7H8O.C6H7.Fe/c1-6(8)7-4-2-3-5-7;1-6-4-2-3-5-6;/h2-5,8H,1H3;2-5H,1H3;/q;-1;
InChIKeyYIZDHUABSWCKMW-UHFFFAOYSA-N
MW243.11 g/mol
LogP3.66
Rot. Bonds

About 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene

1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene (PubChem CID 172558213) has the molecular formula C13H15FeO- and a molecular weight of 243.11 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
PubChem CID172558213
Molecular FormulaC13H15FeO-
Molecular Weight243.11 g/mol
Exact Mass243.05
IUPAC Name1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
SMILESCC(O)=C1C=CC=C1.C[c-]1cccc1.[Fe]
InChIInChI=1S/C7H8O.C6H7.Fe/c1-6(8)7-4-2-3-5-7;1-6-4-2-3-5-6;/h2-5,8H,1H3;2-5H,1H3;/q;-1;
InChIKeyYIZDHUABSWCKMW-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene (CID 172558213) is 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene is CC(O)=C1C=CC=C1.C[c-]1cccc1.[Fe].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene?
The InChIKey is YIZDHUABSWCKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H7.Fe/c1-6(8)7-4-2-3-5-7;1-6-4-2-3-5-6;/h2-5,8H,1H3;2-5H,1H3;/q;-1;.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene?
1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene has a molecular weight of 243.11 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 172558213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).