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

C10H19NO2 — CID 166659338

IUPAC1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine
SMILESCC1OCC(CN2CCCC2)CO1
InChIInChI=1S/C10H19NO2/c1-9-12-7-10(8-13-9)6-11-4-2-3-5-11/h9-10H,2-8H2,1H3
InChIKeyLYZBUWBKHSHCFS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds2

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

1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine (PubChem CID 166659338) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine
PubChem CID166659338
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine
SMILESCC1OCC(CN2CCCC2)CO1
InChIInChI=1S/C10H19NO2/c1-9-12-7-10(8-13-9)6-11-4-2-3-5-11/h9-10H,2-8H2,1H3
InChIKeyLYZBUWBKHSHCFS-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine (CID 166659338) is 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine is CC1OCC(CN2CCCC2)CO1.
What is the InChIKey of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
The InChIKey is LYZBUWBKHSHCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-12-7-10(8-13-9)6-11-4-2-3-5-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine?
1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-dioxan-5-yl)methyl]pyrrolidine is sourced from PubChem (CID 166659338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).