1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine

C8H16INO — CID 131222845

IUPAC1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(CCI)C1
InChIInChI=1S/C8H16INO/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7H2,1H3
InChIKeyKJJKZZFQVWBJRU-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.39
Rot. Bonds4

About 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine

1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine (PubChem CID 131222845) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
PubChem CID131222845
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(CCI)C1
InChIInChI=1S/C8H16INO/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7H2,1H3
InChIKeyKJJKZZFQVWBJRU-UHFFFAOYSA-N
XLogP1.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
N-(dicyclopropylmethyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64583008
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine (CID 131222845) is 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine is COCC1CCN(CCI)C1.
What is the InChIKey of 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine?
The InChIKey is KJJKZZFQVWBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-11-7-8-2-4-10(6-8)5-3-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine?
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine has a molecular weight of 269.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 131222845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).