iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol

C10H19FeNO2 — CID 67297423

IUPACiron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol
SMILESCC1CCCC1OC1CNCC1O.[Fe]
InChIInChI=1S/C10H19NO2.Fe/c1-7-3-2-4-9(7)13-10-6-11-5-8(10)12;/h7-12H,2-6H2,1H3;
InChIKeyZTNRPFQVACJBST-UHFFFAOYSA-N
MW241.11 g/mol
LogP0.52
Rot. Bonds2

About iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol

iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol (PubChem CID 67297423) has the molecular formula C10H19FeNO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol.

Molecular Properties

Compound Nameiron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol
PubChem CID67297423
Molecular FormulaC10H19FeNO2
Molecular Weight241.11 g/mol
Exact Mass241.08
IUPAC Nameiron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol
SMILESCC1CCCC1OC1CNCC1O.[Fe]
InChIInChI=1S/C10H19NO2.Fe/c1-7-3-2-4-9(7)13-10-6-11-5-8(10)12;/h7-12H,2-6H2,1H3;
InChIKeyZTNRPFQVACJBST-UHFFFAOYSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol?
The IUPAC name of iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol (CID 67297423) is iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol.
What is the SMILES notation for iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol?
The canonical SMILES for iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol is CC1CCCC1OC1CNCC1O.[Fe].
What is the InChIKey of iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol?
The InChIKey is ZTNRPFQVACJBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.Fe/c1-7-3-2-4-9(7)13-10-6-11-5-8(10)12;/h7-12H,2-6H2,1H3;.
What are the key properties of iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol?
iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol has a molecular weight of 241.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron;4-(2-methylcyclopentyl)oxypyrrolidin-3-ol is sourced from PubChem (CID 67297423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).