1-iodo-3-(methoxymethyl)pyrrolidine

C6H12INO — CID 177173245

IUPAC1-iodo-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(I)C1
InChIInChI=1S/C6H12INO/c1-9-5-6-2-3-8(7)4-6/h6H,2-5H2,1H3
InChIKeyCAAKEUWHJPEBJF-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.30
Rot. Bonds2

About 1-iodo-3-(methoxymethyl)pyrrolidine

1-iodo-3-(methoxymethyl)pyrrolidine (PubChem CID 177173245) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is 1-iodo-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-iodo-3-(methoxymethyl)pyrrolidine
PubChem CID177173245
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name1-iodo-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(I)C1
InChIInChI=1S/C6H12INO/c1-9-5-6-2-3-8(7)4-6/h6H,2-5H2,1H3
InChIKeyCAAKEUWHJPEBJF-UHFFFAOYSA-N
XLogP1.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-(methoxymethyl)pyrrolidine
CID 174152507
1-methanidyl-3-(methoxymethyl)pyrrolidine
CID 59130849
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
4-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64705792
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 103226769
3-(methoxymethyl)-1-methyl-6-propylazocane
CID 70899502
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
1-(azetidin-3-yl)-3-(methoxymethyl)pyrrolidine
CID 64599135

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-iodo-3-(methoxymethyl)pyrrolidine (CID 177173245) is 1-iodo-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-iodo-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-iodo-3-(methoxymethyl)pyrrolidine is COCC1CCN(I)C1.
What is the InChIKey of 1-iodo-3-(methoxymethyl)pyrrolidine?
The InChIKey is CAAKEUWHJPEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-9-5-6-2-3-8(7)4-6/h6H,2-5H2,1H3.
What are the key properties of 1-iodo-3-(methoxymethyl)pyrrolidine?
1-iodo-3-(methoxymethyl)pyrrolidine has a molecular weight of 241.07 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 177173245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).