4-(azetidin-3-yl)oxan-2-one;hydrochloride

C8H14ClNO2 — CID 75464900

IUPAC4-(azetidin-3-yl)oxan-2-one;hydrochloride
SMILESCl.O=C1CC(C2CNC2)CCO1
InChIInChI=1S/C8H13NO2.ClH/c10-8-3-6(1-2-11-8)7-4-9-5-7;/h6-7,9H,1-5H2;1H
InChIKeyXSMKKITWBKJWBC-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.58
Rot. Bonds1

About 4-(azetidin-3-yl)oxan-2-one;hydrochloride

4-(azetidin-3-yl)oxan-2-one;hydrochloride (PubChem CID 75464900) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-(azetidin-3-yl)oxan-2-one;hydrochloride.

Molecular Properties

Compound Name4-(azetidin-3-yl)oxan-2-one;hydrochloride
PubChem CID75464900
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name4-(azetidin-3-yl)oxan-2-one;hydrochloride
SMILESCl.O=C1CC(C2CNC2)CCO1
InChIInChI=1S/C8H13NO2.ClH/c10-8-3-6(1-2-11-8)7-4-9-5-7;/h6-7,9H,1-5H2;1H
InChIKeyXSMKKITWBKJWBC-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)oxan-2-one;hydrochloride?
The IUPAC name of 4-(azetidin-3-yl)oxan-2-one;hydrochloride (CID 75464900) is 4-(azetidin-3-yl)oxan-2-one;hydrochloride.
What is the SMILES notation for 4-(azetidin-3-yl)oxan-2-one;hydrochloride?
The canonical SMILES for 4-(azetidin-3-yl)oxan-2-one;hydrochloride is Cl.O=C1CC(C2CNC2)CCO1.
What is the InChIKey of 4-(azetidin-3-yl)oxan-2-one;hydrochloride?
The InChIKey is XSMKKITWBKJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c10-8-3-6(1-2-11-8)7-4-9-5-7;/h6-7,9H,1-5H2;1H.
What are the key properties of 4-(azetidin-3-yl)oxan-2-one;hydrochloride?
4-(azetidin-3-yl)oxan-2-one;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)oxan-2-one;hydrochloride is sourced from PubChem (CID 75464900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).