(3-methoxyazetidin-3-yl) formate;hydrochloride

C5H10ClNO3 — CID 175505379

IUPAC(3-methoxyazetidin-3-yl) formate;hydrochloride
SMILESCOC1(OC=O)CNC1.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-8-5(9-4-7)2-6-3-5;/h4,6H,2-3H2,1H3;1H
InChIKeyIMUALVSVHIZRDP-UHFFFAOYSA-N
MW167.59 g/mol
LogP-0.47
Rot. Bonds3

About (3-methoxyazetidin-3-yl) formate;hydrochloride

(3-methoxyazetidin-3-yl) formate;hydrochloride (PubChem CID 175505379) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (3-methoxyazetidin-3-yl) formate;hydrochloride.

Molecular Properties

Compound Name(3-methoxyazetidin-3-yl) formate;hydrochloride
PubChem CID175505379
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(3-methoxyazetidin-3-yl) formate;hydrochloride
SMILESCOC1(OC=O)CNC1.Cl
InChIInChI=1S/C5H9NO3.ClH/c1-8-5(9-4-7)2-6-3-5;/h4,6H,2-3H2,1H3;1H
InChIKeyIMUALVSVHIZRDP-UHFFFAOYSA-N
XLogP-0.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-3-yl) formate;hydrochloride?
The IUPAC name of (3-methoxyazetidin-3-yl) formate;hydrochloride (CID 175505379) is (3-methoxyazetidin-3-yl) formate;hydrochloride.
What is the SMILES notation for (3-methoxyazetidin-3-yl) formate;hydrochloride?
The canonical SMILES for (3-methoxyazetidin-3-yl) formate;hydrochloride is COC1(OC=O)CNC1.Cl.
What is the InChIKey of (3-methoxyazetidin-3-yl) formate;hydrochloride?
The InChIKey is IMUALVSVHIZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c1-8-5(9-4-7)2-6-3-5;/h4,6H,2-3H2,1H3;1H.
What are the key properties of (3-methoxyazetidin-3-yl) formate;hydrochloride?
(3-methoxyazetidin-3-yl) formate;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-3-yl) formate;hydrochloride is sourced from PubChem (CID 175505379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).