(2S)-2-(oxan-2-yloxymethyl)pyrrolidine

C10H19NO2 — CID 45091361

IUPAC(2S)-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESC1CCC(OC[C@@H]2CCCN2)OC1
InChIInChI=1S/C10H19NO2/c1-2-7-12-10(5-1)13-8-9-4-3-6-11-9/h9-11H,1-8H2/t9-,10?/m0/s1
InChIKeyZUVAUSCCBBCJGH-RGURZIINSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About (2S)-2-(oxan-2-yloxymethyl)pyrrolidine

(2S)-2-(oxan-2-yloxymethyl)pyrrolidine (PubChem CID 45091361) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S)-2-(oxan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(oxan-2-yloxymethyl)pyrrolidine
PubChem CID45091361
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S)-2-(oxan-2-yloxymethyl)pyrrolidine
SMILESC1CCC(OC[C@@H]2CCCN2)OC1
InChIInChI=1S/C10H19NO2/c1-2-7-12-10(5-1)13-8-9-4-3-6-11-9/h9-11H,1-8H2/t9-,10?/m0/s1
InChIKeyZUVAUSCCBBCJGH-RGURZIINSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(oxan-2-yloxymethyl)pyrrolidine (CID 45091361) is (2S)-2-(oxan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(oxan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(oxan-2-yloxymethyl)pyrrolidine is C1CCC(OC[C@@H]2CCCN2)OC1.
What is the InChIKey of (2S)-2-(oxan-2-yloxymethyl)pyrrolidine?
The InChIKey is ZUVAUSCCBBCJGH-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-7-12-10(5-1)13-8-9-4-3-6-11-9/h9-11H,1-8H2/t9-,10?/m0/s1.
What are the key properties of (2S)-2-(oxan-2-yloxymethyl)pyrrolidine?
(2S)-2-(oxan-2-yloxymethyl)pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(oxan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 45091361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).