azet-3-ylmethanol;hydrochloride

C4H6ClNO — CID 170946748

IUPACazet-3-ylmethanol;hydrochloride
SMILESCl.OCC1=CN=C1
InChIInChI=1S/C4H5NO.ClH/c6-3-4-1-5-2-4;/h1-2,6H,3H2;1H
InChIKeyRPUXONPVVDQAPK-UHFFFAOYSA-N
MW119.55 g/mol
LogP0.37
Rot. Bonds1

About azet-3-ylmethanol;hydrochloride

azet-3-ylmethanol;hydrochloride (PubChem CID 170946748) has the molecular formula C4H6ClNO and a molecular weight of 119.55 g/mol. Its IUPAC name is azet-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Nameazet-3-ylmethanol;hydrochloride
PubChem CID170946748
Molecular FormulaC4H6ClNO
Molecular Weight119.55 g/mol
Exact Mass119.01
IUPAC Nameazet-3-ylmethanol;hydrochloride
SMILESCl.OCC1=CN=C1
InChIInChI=1S/C4H5NO.ClH/c6-3-4-1-5-2-4;/h1-2,6H,3H2;1H
InChIKeyRPUXONPVVDQAPK-UHFFFAOYSA-N
XLogP0.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azet-3-ylmethanol;hydrochloride?
The IUPAC name of azet-3-ylmethanol;hydrochloride (CID 170946748) is azet-3-ylmethanol;hydrochloride.
What is the SMILES notation for azet-3-ylmethanol;hydrochloride?
The canonical SMILES for azet-3-ylmethanol;hydrochloride is Cl.OCC1=CN=C1.
What is the InChIKey of azet-3-ylmethanol;hydrochloride?
The InChIKey is RPUXONPVVDQAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.ClH/c6-3-4-1-5-2-4;/h1-2,6H,3H2;1H.
What are the key properties of azet-3-ylmethanol;hydrochloride?
azet-3-ylmethanol;hydrochloride has a molecular weight of 119.55 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azet-3-ylmethanol;hydrochloride is sourced from PubChem (CID 170946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).