1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone

C10H18N2O2 — CID 130138001

IUPAC1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCOCC2)C1
InChIInChI=1S/C10H18N2O2/c1-9(13)12-7-10(8-12)6-11-2-4-14-5-3-11/h10H,2-8H2,1H3
InChIKeyGOGCDXUEHNXEKR-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.20
Rot. Bonds2

About 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone

1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone (PubChem CID 130138001) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
PubChem CID130138001
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(CN2CCOCC2)C1
InChIInChI=1S/C10H18N2O2/c1-9(13)12-7-10(8-12)6-11-2-4-14-5-3-11/h10H,2-8H2,1H3
InChIKeyGOGCDXUEHNXEKR-UHFFFAOYSA-N
XLogP-0.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone (CID 130138001) is 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone is CC(=O)N1CC(CN2CCOCC2)C1.
What is the InChIKey of 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone?
The InChIKey is GOGCDXUEHNXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)12-7-10(8-12)6-11-2-4-14-5-3-11/h10H,2-8H2,1H3.
What are the key properties of 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone?
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone has a molecular weight of 198.27 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone is sourced from PubChem (CID 130138001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).