(3S)-3-(1,3-dioxan-2-yl)pyrrolidine

C8H15NO2 — CID 138546818

IUPAC(3S)-3-(1,3-dioxan-2-yl)pyrrolidine
SMILESC1COC([C@H]2CCNC2)OC1
InChIInChI=1S/C8H15NO2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h7-9H,1-6H2/t7-/m0/s1
InChIKeyZLGFJQWMDKAXLN-ZETCQYMHSA-N
MW157.21 g/mol
LogP0.36
Rot. Bonds1

About (3S)-3-(1,3-dioxan-2-yl)pyrrolidine

(3S)-3-(1,3-dioxan-2-yl)pyrrolidine (PubChem CID 138546818) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S)-3-(1,3-dioxan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(1,3-dioxan-2-yl)pyrrolidine
PubChem CID138546818
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S)-3-(1,3-dioxan-2-yl)pyrrolidine
SMILESC1COC([C@H]2CCNC2)OC1
InChIInChI=1S/C8H15NO2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h7-9H,1-6H2/t7-/m0/s1
InChIKeyZLGFJQWMDKAXLN-ZETCQYMHSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-dioxan-2-yl)pyrrolidine?
The IUPAC name of (3S)-3-(1,3-dioxan-2-yl)pyrrolidine (CID 138546818) is (3S)-3-(1,3-dioxan-2-yl)pyrrolidine.
What is the SMILES notation for (3S)-3-(1,3-dioxan-2-yl)pyrrolidine?
The canonical SMILES for (3S)-3-(1,3-dioxan-2-yl)pyrrolidine is C1COC([C@H]2CCNC2)OC1.
What is the InChIKey of (3S)-3-(1,3-dioxan-2-yl)pyrrolidine?
The InChIKey is ZLGFJQWMDKAXLN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-10-8(11-5-1)7-2-3-9-6-7/h7-9H,1-6H2/t7-/m0/s1.
What are the key properties of (3S)-3-(1,3-dioxan-2-yl)pyrrolidine?
(3S)-3-(1,3-dioxan-2-yl)pyrrolidine has a molecular weight of 157.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-dioxan-2-yl)pyrrolidine is sourced from PubChem (CID 138546818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).