(2S)-2-(1-iodobutoxymethyl)pyrrolidine

C9H18INO — CID 121274934

IUPAC(2S)-2-(1-iodobutoxymethyl)pyrrolidine
SMILESCCCC(I)OC[C@@H]1CCCN1
InChIInChI=1S/C9H18INO/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyNKWWFQBUUPVOKL-IENPIDJESA-N
MW283.15 g/mol
LogP2.32
Rot. Bonds5

About (2S)-2-(1-iodobutoxymethyl)pyrrolidine

(2S)-2-(1-iodobutoxymethyl)pyrrolidine (PubChem CID 121274934) has the molecular formula C9H18INO and a molecular weight of 283.15 g/mol. Its IUPAC name is (2S)-2-(1-iodobutoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(1-iodobutoxymethyl)pyrrolidine
PubChem CID121274934
Molecular FormulaC9H18INO
Molecular Weight283.15 g/mol
Exact Mass283.04
IUPAC Name(2S)-2-(1-iodobutoxymethyl)pyrrolidine
SMILESCCCC(I)OC[C@@H]1CCCN1
InChIInChI=1S/C9H18INO/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3/t8-,9?/m0/s1
InChIKeyNKWWFQBUUPVOKL-IENPIDJESA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.32
H-Bond Donors ≤ 51
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

2-(pentan-2-yloxymethyl)piperidine
CID 102981941
2-(pyrrolidin-2-ylmethoxy)pentanoic acid
CID 106939418
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
CID 146554442
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
(2S)-2-(1-ethoxypropan-2-yloxymethyl)pyrrolidine
CID 103488467
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-iodobutoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(1-iodobutoxymethyl)pyrrolidine (CID 121274934) is (2S)-2-(1-iodobutoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(1-iodobutoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(1-iodobutoxymethyl)pyrrolidine is CCCC(I)OC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(1-iodobutoxymethyl)pyrrolidine?
The InChIKey is NKWWFQBUUPVOKL-IENPIDJESA-N. The full InChI is InChI=1S/C9H18INO/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(1-iodobutoxymethyl)pyrrolidine?
(2S)-2-(1-iodobutoxymethyl)pyrrolidine has a molecular weight of 283.15 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-iodobutoxymethyl)pyrrolidine is sourced from PubChem (CID 121274934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).