1-ethylazetidin-3-ol;hydrochloride

C5H12ClNO — CID 57415896

IUPAC1-ethylazetidin-3-ol;hydrochloride
SMILESCCN1CC(O)C1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-6-3-5(7)4-6;/h5,7H,2-4H2,1H3;1H
InChIKeyYLCXUMVXZXALMZ-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.10
Rot. Bonds1

About 1-ethylazetidin-3-ol;hydrochloride

1-ethylazetidin-3-ol;hydrochloride (PubChem CID 57415896) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 1-ethylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-ethylazetidin-3-ol;hydrochloride
PubChem CID57415896
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name1-ethylazetidin-3-ol;hydrochloride
SMILESCCN1CC(O)C1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-6-3-5(7)4-6;/h5,7H,2-4H2,1H3;1H
InChIKeyYLCXUMVXZXALMZ-UHFFFAOYSA-N
XLogP0.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-ethylazetidin-3-ol;hydrochloride (CID 57415896) is 1-ethylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-ethylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-ethylazetidin-3-ol;hydrochloride is CCN1CC(O)C1.Cl.
What is the InChIKey of 1-ethylazetidin-3-ol;hydrochloride?
The InChIKey is YLCXUMVXZXALMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-6-3-5(7)4-6;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 1-ethylazetidin-3-ol;hydrochloride?
1-ethylazetidin-3-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 57415896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).