3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride

C10H18ClNO3 — CID 75525768

IUPAC3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride
SMILESCl.O=C1CCOCC1CN1CCOCC1
InChIInChI=1S/C10H17NO3.ClH/c12-10-1-4-14-8-9(10)7-11-2-5-13-6-3-11;/h9H,1-8H2;1H
InChIKeyZSKMLQNWXJIJIX-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.35
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride

3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride (PubChem CID 75525768) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride
PubChem CID75525768
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride
SMILESCl.O=C1CCOCC1CN1CCOCC1
InChIInChI=1S/C10H17NO3.ClH/c12-10-1-4-14-8-9(10)7-11-2-5-13-6-3-11;/h9H,1-8H2;1H
InChIKeyZSKMLQNWXJIJIX-UHFFFAOYSA-N
XLogP0.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride?
The IUPAC name of 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride (CID 75525768) is 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride?
The canonical SMILES for 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride is Cl.O=C1CCOCC1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride?
The InChIKey is ZSKMLQNWXJIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.ClH/c12-10-1-4-14-8-9(10)7-11-2-5-13-6-3-11;/h9H,1-8H2;1H.
What are the key properties of 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride?
3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)oxan-4-one;hydrochloride is sourced from PubChem (CID 75525768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).