(4R)-3,3,4-trimethylazetidin-2-one

C6H11NO — CID 59064361

IUPAC(4R)-3,3,4-trimethylazetidin-2-one
SMILESC[C@H]1NC(=O)C1(C)C
InChIInChI=1S/C6H11NO/c1-4-6(2,3)5(8)7-4/h4H,1-3H3,(H,7,8)/t4-/m1/s1
InChIKeyORMWGSZRBHUGBI-SCSAIBSYSA-N
MW113.16 g/mol
LogP0.53
Rot. Bonds

About (4R)-3,3,4-trimethylazetidin-2-one

(4R)-3,3,4-trimethylazetidin-2-one (PubChem CID 59064361) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4R)-3,3,4-trimethylazetidin-2-one.

Molecular Properties

Compound Name(4R)-3,3,4-trimethylazetidin-2-one
PubChem CID59064361
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4R)-3,3,4-trimethylazetidin-2-one
SMILESC[C@H]1NC(=O)C1(C)C
InChIInChI=1S/C6H11NO/c1-4-6(2,3)5(8)7-4/h4H,1-3H3,(H,7,8)/t4-/m1/s1
InChIKeyORMWGSZRBHUGBI-SCSAIBSYSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 54498497
(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 98602184
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
1-methyl-2,5-diazaspiro[3.4]octan-3-one
CID 90330182
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
(6S,12S,18S,24S)-3,3,6,9,9,12,15,15,18,21,21,24-dodecamethyl-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CID 177434045
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
4-methylazetidine-2,3-dione
CID 141376893
3,3-dimethyl-4-phenoxyazetidin-2-one
CID 19877425
4-(1-methoxypropan-2-yl)-3,3-dimethylazetidin-2-one
CID 130574754

Frequently Asked Questions

What is the IUPAC name of (4R)-3,3,4-trimethylazetidin-2-one?
The IUPAC name of (4R)-3,3,4-trimethylazetidin-2-one (CID 59064361) is (4R)-3,3,4-trimethylazetidin-2-one.
What is the SMILES notation for (4R)-3,3,4-trimethylazetidin-2-one?
The canonical SMILES for (4R)-3,3,4-trimethylazetidin-2-one is C[C@H]1NC(=O)C1(C)C.
What is the InChIKey of (4R)-3,3,4-trimethylazetidin-2-one?
The InChIKey is ORMWGSZRBHUGBI-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(2,3)5(8)7-4/h4H,1-3H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (4R)-3,3,4-trimethylazetidin-2-one?
(4R)-3,3,4-trimethylazetidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3,4-trimethylazetidin-2-one is sourced from PubChem (CID 59064361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).