(2R)-2-(octoxymethyl)pyrrolidine

C13H27NO — CID 102820024

IUPAC(2R)-2-(octoxymethyl)pyrrolidine
SMILESCCCCCCCCOC[C@H]1CCCN1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-13/h13-14H,2-12H2,1H3/t13-/m1/s1
InChIKeyGUOQJMZGQMCXBL-CYBMUJFWSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds9

About (2R)-2-(octoxymethyl)pyrrolidine

(2R)-2-(octoxymethyl)pyrrolidine (PubChem CID 102820024) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2R)-2-(octoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(octoxymethyl)pyrrolidine
PubChem CID102820024
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2R)-2-(octoxymethyl)pyrrolidine
SMILESCCCCCCCCOC[C@H]1CCCN1
InChIInChI=1S/C13H27NO/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-13/h13-14H,2-12H2,1H3/t13-/m1/s1
InChIKeyGUOQJMZGQMCXBL-CYBMUJFWSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
2-(2-octadecoxyethyl)piperidine
CID 140997929
(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
(2S)-2-hexylpyrrolidine
CID 7047826
6-(propoxymethyl)-1-oxa-5-azacyclododecane
CID 22084567
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898
2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(octoxymethyl)pyrrolidine?
The IUPAC name of (2R)-2-(octoxymethyl)pyrrolidine (CID 102820024) is (2R)-2-(octoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(octoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-2-(octoxymethyl)pyrrolidine is CCCCCCCCOC[C@H]1CCCN1.
What is the InChIKey of (2R)-2-(octoxymethyl)pyrrolidine?
The InChIKey is GUOQJMZGQMCXBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-4-5-6-7-11-15-12-13-9-8-10-14-13/h13-14H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(octoxymethyl)pyrrolidine?
(2R)-2-(octoxymethyl)pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(octoxymethyl)pyrrolidine is sourced from PubChem (CID 102820024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).