3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one

C9H15NO2 — CID 126983039

IUPAC3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
SMILESCC1(C)C(=O)NC1C1CCOC1
InChIInChI=1S/C9H15NO2/c1-9(2)7(10-8(9)11)6-3-4-12-5-6/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDBHHUVIBAYYWLV-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds1

About 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one

3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one (PubChem CID 126983039) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
PubChem CID126983039
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
SMILESCC1(C)C(=O)NC1C1CCOC1
InChIInChI=1S/C9H15NO2/c1-9(2)7(10-8(9)11)6-3-4-12-5-6/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyDBHHUVIBAYYWLV-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 54498497
(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 98602184
3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
CID 130597051
2,2-dimethyl-4-(oxolan-3-yl)oxolan-3-one
CID 130927858
4-methyl-4-(oxan-3-yl)pyrrolidin-2-one
CID 105440648
5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
CID 117158929
(3S)-3-[(2R)-oxiran-2-yl]oxolane
CID 94590793
3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
CID 128539854
5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 105360004
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
3,8-dioxabicyclo[4.2.0]octane
CID 83669972
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one?
The IUPAC name of 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one (CID 126983039) is 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one is CC1(C)C(=O)NC1C1CCOC1.
What is the InChIKey of 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one?
The InChIKey is DBHHUVIBAYYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2)7(10-8(9)11)6-3-4-12-5-6/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one?
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one is sourced from PubChem (CID 126983039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).