(4R)-4-(azetidin-3-yl)oxan-2-one

C8H13NO2 — CID 86336140

IUPAC(4R)-4-(azetidin-3-yl)oxan-2-one
SMILESO=C1C[C@H](C2CNC2)CCO1
InChIInChI=1S/C8H13NO2/c10-8-3-6(1-2-11-8)7-4-9-5-7/h6-7,9H,1-5H2/t6-/m1/s1
InChIKeyGTEYRGVBSGFRTE-ZCFIWIBFSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds1

About (4R)-4-(azetidin-3-yl)oxan-2-one

(4R)-4-(azetidin-3-yl)oxan-2-one (PubChem CID 86336140) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4R)-4-(azetidin-3-yl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(azetidin-3-yl)oxan-2-one
PubChem CID86336140
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4R)-4-(azetidin-3-yl)oxan-2-one
SMILESO=C1C[C@H](C2CNC2)CCO1
InChIInChI=1S/C8H13NO2/c10-8-3-6(1-2-11-8)7-4-9-5-7/h6-7,9H,1-5H2/t6-/m1/s1
InChIKeyGTEYRGVBSGFRTE-ZCFIWIBFSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-yl)oxan-2-one;hydrochloride
CID 75464900
4-cyclopentyloxan-2-one
CID 83816062
(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
CID 165083138
4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxan-2-one
CID 71217325
4-(5-oxooxolan-3-yl)oxolan-2-one
CID 89449763
4-(sulfanylmethyl)oxan-2-one
CID 156711124
4,4-dimethyl-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrol-6-one
CID 130057017
4-ethenyloxan-2-one
CID 543133
2-oxooxane-4-carboxylic acid
CID 69173486
2,4,4a,5,6,7,8,8a-octahydro-1H-2,7-naphthyridin-3-one
CID 105430139
4,4a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-d][1,3]oxazin-2-one
CID 115011464
4-cyclopentyloxolan-2-one
CID 12664736

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azetidin-3-yl)oxan-2-one?
The IUPAC name of (4R)-4-(azetidin-3-yl)oxan-2-one (CID 86336140) is (4R)-4-(azetidin-3-yl)oxan-2-one.
What is the SMILES notation for (4R)-4-(azetidin-3-yl)oxan-2-one?
The canonical SMILES for (4R)-4-(azetidin-3-yl)oxan-2-one is O=C1C[C@H](C2CNC2)CCO1.
What is the InChIKey of (4R)-4-(azetidin-3-yl)oxan-2-one?
The InChIKey is GTEYRGVBSGFRTE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8-3-6(1-2-11-8)7-4-9-5-7/h6-7,9H,1-5H2/t6-/m1/s1.
What are the key properties of (4R)-4-(azetidin-3-yl)oxan-2-one?
(4R)-4-(azetidin-3-yl)oxan-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azetidin-3-yl)oxan-2-one is sourced from PubChem (CID 86336140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).