3-prop-2-ynoxyazetidine;hydrochloride

C6H10ClNO — CID 71299285

IUPAC3-prop-2-ynoxyazetidine;hydrochloride
SMILESC#CCOC1CNC1.Cl
InChIInChI=1S/C6H9NO.ClH/c1-2-3-8-6-4-7-5-6;/h1,6-7H,3-5H2;1H
InChIKeyVERYWYWIDHFMNG-UHFFFAOYSA-N
MW147.61 g/mol
LogP0.03
Rot. Bonds2

About 3-prop-2-ynoxyazetidine;hydrochloride

3-prop-2-ynoxyazetidine;hydrochloride (PubChem CID 71299285) has the molecular formula C6H10ClNO and a molecular weight of 147.61 g/mol. Its IUPAC name is 3-prop-2-ynoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-prop-2-ynoxyazetidine;hydrochloride
PubChem CID71299285
Molecular FormulaC6H10ClNO
Molecular Weight147.61 g/mol
Exact Mass147.05
IUPAC Name3-prop-2-ynoxyazetidine;hydrochloride
SMILESC#CCOC1CNC1.Cl
InChIInChI=1S/C6H9NO.ClH/c1-2-3-8-6-4-7-5-6;/h1,6-7H,3-5H2;1H
InChIKeyVERYWYWIDHFMNG-UHFFFAOYSA-N
XLogP0.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxyazetidine;hydrochloride?
The IUPAC name of 3-prop-2-ynoxyazetidine;hydrochloride (CID 71299285) is 3-prop-2-ynoxyazetidine;hydrochloride.
What is the SMILES notation for 3-prop-2-ynoxyazetidine;hydrochloride?
The canonical SMILES for 3-prop-2-ynoxyazetidine;hydrochloride is C#CCOC1CNC1.Cl.
What is the InChIKey of 3-prop-2-ynoxyazetidine;hydrochloride?
The InChIKey is VERYWYWIDHFMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.ClH/c1-2-3-8-6-4-7-5-6;/h1,6-7H,3-5H2;1H.
What are the key properties of 3-prop-2-ynoxyazetidine;hydrochloride?
3-prop-2-ynoxyazetidine;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxyazetidine;hydrochloride is sourced from PubChem (CID 71299285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).