4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one

C11H21NO — CID 130660307

IUPAC4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CC(C)(C)C1(C)C
InChIInChI=1S/C11H21NO/c1-9(13)6-7-12-8-10(2,3)11(12,4)5/h6-8H2,1-5H3
InChIKeyOIRVNZDRBADPRM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds3

About 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one

4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one (PubChem CID 130660307) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one
PubChem CID130660307
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CC(C)(C)C1(C)C
InChIInChI=1S/C11H21NO/c1-9(13)6-7-12-8-10(2,3)11(12,4)5/h6-8H2,1-5H3
InChIKeyOIRVNZDRBADPRM-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,3,3-tetramethylazetidin-1-yl)propanamide
CID 130625607
4-(3-hydroxy-3-methylazetidin-1-yl)butan-2-one
CID 130847612
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
hexane-2,5-dione
CID 8035
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
4-(4-hydroxy-4-methylazepan-1-yl)butan-2-one
CID 107405316
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
CID 167476884
1-(1,2,2-trimethylcyclopentyl)hexane-1,5-dione
CID 23256271
4-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-2-one
CID 131207055

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one?
The IUPAC name of 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one (CID 130660307) is 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one?
The canonical SMILES for 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one is CC(=O)CCN1CC(C)(C)C1(C)C.
What is the InChIKey of 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one?
The InChIKey is OIRVNZDRBADPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(13)6-7-12-8-10(2,3)11(12,4)5/h6-8H2,1-5H3.
What are the key properties of 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one?
4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetramethylazetidin-1-yl)butan-2-one is sourced from PubChem (CID 130660307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).