1-(1,3-dioxan-4-ylmethyl)pyrazolidine

C8H16N2O2 — CID 131098021

IUPAC1-(1,3-dioxan-4-ylmethyl)pyrazolidine
SMILESC1CNN(CC2CCOCO2)C1
InChIInChI=1S/C8H16N2O2/c1-3-9-10(4-1)6-8-2-5-11-7-12-8/h8-9H,1-7H2
InChIKeyIJRCLBXYAYWIQW-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.04
Rot. Bonds2

About 1-(1,3-dioxan-4-ylmethyl)pyrazolidine

1-(1,3-dioxan-4-ylmethyl)pyrazolidine (PubChem CID 131098021) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-ylmethyl)pyrazolidine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-ylmethyl)pyrazolidine
PubChem CID131098021
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-(1,3-dioxan-4-ylmethyl)pyrazolidine
SMILESC1CNN(CC2CCOCO2)C1
InChIInChI=1S/C8H16N2O2/c1-3-9-10(4-1)6-8-2-5-11-7-12-8/h8-9H,1-7H2
InChIKeyIJRCLBXYAYWIQW-UHFFFAOYSA-N
XLogP-0.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-ylmethyl)pyrazolidine?
The IUPAC name of 1-(1,3-dioxan-4-ylmethyl)pyrazolidine (CID 131098021) is 1-(1,3-dioxan-4-ylmethyl)pyrazolidine.
What is the SMILES notation for 1-(1,3-dioxan-4-ylmethyl)pyrazolidine?
The canonical SMILES for 1-(1,3-dioxan-4-ylmethyl)pyrazolidine is C1CNN(CC2CCOCO2)C1.
What is the InChIKey of 1-(1,3-dioxan-4-ylmethyl)pyrazolidine?
The InChIKey is IJRCLBXYAYWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-10(4-1)6-8-2-5-11-7-12-8/h8-9H,1-7H2.
What are the key properties of 1-(1,3-dioxan-4-ylmethyl)pyrazolidine?
1-(1,3-dioxan-4-ylmethyl)pyrazolidine has a molecular weight of 172.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-ylmethyl)pyrazolidine is sourced from PubChem (CID 131098021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).