2-ethyl-1-iodopyrrolidine

C6H12IN — CID 88932324

IUPAC2-ethyl-1-iodopyrrolidine
SMILESCCC1CCCN1I
InChIInChI=1S/C6H12IN/c1-2-6-4-3-5-8(6)7/h6H,2-5H2,1H3
InChIKeyQDEHUQSVFYSWIF-UHFFFAOYSA-N
MW225.07 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-1-iodopyrrolidine

2-ethyl-1-iodopyrrolidine (PubChem CID 88932324) has the molecular formula C6H12IN and a molecular weight of 225.07 g/mol. Its IUPAC name is 2-ethyl-1-iodopyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-iodopyrrolidine
PubChem CID88932324
Molecular FormulaC6H12IN
Molecular Weight225.07 g/mol
Exact Mass225.00
IUPAC Name2-ethyl-1-iodopyrrolidine
SMILESCCC1CCCN1I
InChIInChI=1S/C6H12IN/c1-2-6-4-3-5-8(6)7/h6H,2-5H2,1H3
InChIKeyQDEHUQSVFYSWIF-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-iodopyrrolidine?
The IUPAC name of 2-ethyl-1-iodopyrrolidine (CID 88932324) is 2-ethyl-1-iodopyrrolidine.
What is the SMILES notation for 2-ethyl-1-iodopyrrolidine?
The canonical SMILES for 2-ethyl-1-iodopyrrolidine is CCC1CCCN1I.
What is the InChIKey of 2-ethyl-1-iodopyrrolidine?
The InChIKey is QDEHUQSVFYSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12IN/c1-2-6-4-3-5-8(6)7/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-1-iodopyrrolidine?
2-ethyl-1-iodopyrrolidine has a molecular weight of 225.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-iodopyrrolidine is sourced from PubChem (CID 88932324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).