2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron

C10H16FeNO2- — CID 59068363

IUPAC2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron
SMILESOCCOCCNC1C=CC=[C-]C1.[Fe]
InChIInChI=1S/C10H16NO2.Fe/c12-7-9-13-8-6-11-10-4-2-1-3-5-10;/h1-2,4,10-12H,5-9H2;/q-1;
InChIKeyRYZWWVZDNXZZFK-UHFFFAOYSA-N
MW238.09 g/mol
LogP0.27
Rot. Bonds6

About 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron

2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron (PubChem CID 59068363) has the molecular formula C10H16FeNO2- and a molecular weight of 238.09 g/mol. Its IUPAC name is 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron.

Molecular Properties

Compound Name2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron
PubChem CID59068363
Molecular FormulaC10H16FeNO2-
Molecular Weight238.09 g/mol
Exact Mass238.05
IUPAC Name2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron
SMILESOCCOCCNC1C=CC=[C-]C1.[Fe]
InChIInChI=1S/C10H16NO2.Fe/c12-7-9-13-8-6-11-10-4-2-1-3-5-10;/h1-2,4,10-12H,5-9H2;/q-1;
InChIKeyRYZWWVZDNXZZFK-UHFFFAOYSA-N
XLogP0.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron?
The IUPAC name of 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron (CID 59068363) is 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron.
What is the SMILES notation for 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron?
The canonical SMILES for 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron is OCCOCCNC1C=CC=[C-]C1.[Fe].
What is the InChIKey of 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron?
The InChIKey is RYZWWVZDNXZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2.Fe/c12-7-9-13-8-6-11-10-4-2-1-3-5-10;/h1-2,4,10-12H,5-9H2;/q-1;.
What are the key properties of 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron?
2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron has a molecular weight of 238.09 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexa-2,4-dien-1-ylamino)ethoxy]ethanol;iron is sourced from PubChem (CID 59068363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).