(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one

C8H13NO — CID 98602184

IUPAC(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
SMILESCC1(C)C(=O)N[C@H]1C1CC1
InChIInChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyYAUJPRYRAHUFLA-LURJTMIESA-N
MW139.20 g/mol
LogP0.92
Rot. Bonds1

About (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one

(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one (PubChem CID 98602184) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
PubChem CID98602184
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one
SMILESCC1(C)C(=O)N[C@H]1C1CC1
InChIInChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyYAUJPRYRAHUFLA-LURJTMIESA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopropyl-3,3-dimethylazetidin-2-one
CID 54498497
3,3-dimethyl-4-(oxolan-3-yl)azetidin-2-one
CID 126983039
3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
CID 128539854
(4R)-3,3,4-trimethylazetidin-2-one
CID 59064361
(1R,4S)-1-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-3-one
CID 124709838
6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
CID 64883661
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210
3,3,10,10-tetramethyltricyclo[3.2.2.12,4]decane
CID 91390077
[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl] acetate
CID 59064357
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
3,3,5-trimethylpyrrolidine-2,4-dione
CID 55299893
3-cyclopropyl-6-ethyl-1,6-dimethylpiperazine-2,5-dione
CID 64887335

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one?
The IUPAC name of (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one (CID 98602184) is (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one.
What is the SMILES notation for (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one?
The canonical SMILES for (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one is CC1(C)C(=O)N[C@H]1C1CC1.
What is the InChIKey of (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one?
The InChIKey is YAUJPRYRAHUFLA-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO/c1-8(2)6(5-3-4-5)9-7(8)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one?
(4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-3,3-dimethylazetidin-2-one is sourced from PubChem (CID 98602184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).