(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine

C8H14INO2 — CID 118563690

IUPAC(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine
SMILESICO[C@H]1CCN(C2COC2)C1
InChIInChI=1S/C8H14INO2/c9-6-12-8-1-2-10(3-8)7-4-11-5-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyBJTLCAGHHBIFPD-QMMMGPOBSA-N
MW283.11 g/mol
LogP0.87
Rot. Bonds3

About (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine

(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine (PubChem CID 118563690) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine
PubChem CID118563690
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine
SMILESICO[C@H]1CCN(C2COC2)C1
InChIInChI=1S/C8H14INO2/c9-6-12-8-1-2-10(3-8)7-4-11-5-7/h7-8H,1-6H2/t8-/m0/s1
InChIKeyBJTLCAGHHBIFPD-QMMMGPOBSA-N
XLogP0.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methoxy-1-(oxetan-3-yl)pyrrolidine
CID 118553663
3-[(2-methylpropan-2-yl)oxy]-1-(oxetan-3-yl)pyrrolidine
CID 149071581
(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 142381359
2-methyl-5-(oxetan-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 178157120
(3R)-3-[(4-fluorophenyl)methoxy]-1-(oxolan-3-yl)pyrrolidine
CID 71193384
1-tert-butyl-4-[1-(oxetan-3-yl)azetidin-3-yl]oxypiperidine
CID 171761936
(3R)-1-(oxepan-4-yl)-3-prop-2-enoxypyrrolidine
CID 89357684
3-(2-bromoethynyl)-1-(oxetan-3-yl)pyrrolidine
CID 126651375
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644
(3R)-1-(oxolan-3-yl)-3-(3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-6-yloxy)pyrrolidine
CID 71193289
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
ethane;1-(oxetan-3-yl)-4-propylpiperidine
CID 144662660

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine (CID 118563690) is (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine is ICO[C@H]1CCN(C2COC2)C1.
What is the InChIKey of (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is BJTLCAGHHBIFPD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14INO2/c9-6-12-8-1-2-10(3-8)7-4-11-5-7/h7-8H,1-6H2/t8-/m0/s1.
What are the key properties of (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine?
(3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 283.11 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(iodomethoxy)-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 118563690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).