1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine

C11H21NO2 — CID 166659359

IUPAC1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine
SMILESCCC1OCC(CN2CCCC2)CO1
InChIInChI=1S/C11H21NO2/c1-2-11-13-8-10(9-14-11)7-12-5-3-4-6-12/h10-11H,2-9H2,1H3
InChIKeyHQGUWBJLQVBHBN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds3

About 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine

1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine (PubChem CID 166659359) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine
PubChem CID166659359
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine
SMILESCCC1OCC(CN2CCCC2)CO1
InChIInChI=1S/C11H21NO2/c1-2-11-13-8-10(9-14-11)7-12-5-3-4-6-12/h10-11H,2-9H2,1H3
InChIKeyHQGUWBJLQVBHBN-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine (CID 166659359) is 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine is CCC1OCC(CN2CCCC2)CO1.
What is the InChIKey of 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The InChIKey is HQGUWBJLQVBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-11-13-8-10(9-14-11)7-12-5-3-4-6-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine has a molecular weight of 199.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-dioxan-5-yl)methyl]pyrrolidine is sourced from PubChem (CID 166659359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).