4-(azetidin-3-yl)morpholin-3-one

C7H12N2O2 — CID 53439966

IUPAC4-(azetidin-3-yl)morpholin-3-one
SMILESO=C1COCCN1C1CNC1
InChIInChI=1S/C7H12N2O2/c10-7-5-11-2-1-9(7)6-3-8-4-6/h6,8H,1-5H2
InChIKeyTVUYAXOQFUDABO-UHFFFAOYSA-N
MW156.18 g/mol
LogP-1.18
Rot. Bonds1

About 4-(azetidin-3-yl)morpholin-3-one

4-(azetidin-3-yl)morpholin-3-one (PubChem CID 53439966) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(azetidin-3-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(azetidin-3-yl)morpholin-3-one
PubChem CID53439966
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-(azetidin-3-yl)morpholin-3-one
SMILESO=C1COCCN1C1CNC1
InChIInChI=1S/C7H12N2O2/c10-7-5-11-2-1-9(7)6-3-8-4-6/h6,8H,1-5H2
InChIKeyTVUYAXOQFUDABO-UHFFFAOYSA-N
XLogP-1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-1.18
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)morpholin-3-one?
The IUPAC name of 4-(azetidin-3-yl)morpholin-3-one (CID 53439966) is 4-(azetidin-3-yl)morpholin-3-one.
What is the SMILES notation for 4-(azetidin-3-yl)morpholin-3-one?
The canonical SMILES for 4-(azetidin-3-yl)morpholin-3-one is O=C1COCCN1C1CNC1.
What is the InChIKey of 4-(azetidin-3-yl)morpholin-3-one?
The InChIKey is TVUYAXOQFUDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7-5-11-2-1-9(7)6-3-8-4-6/h6,8H,1-5H2.
What are the key properties of 4-(azetidin-3-yl)morpholin-3-one?
4-(azetidin-3-yl)morpholin-3-one has a molecular weight of 156.18 g/mol, XLogP of -1.18, 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)morpholin-3-one is sourced from PubChem (CID 53439966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).