1-(2,2-dimethylpropyl)azetidin-2-one

C8H15NO — CID 123450643

IUPAC1-(2,2-dimethylpropyl)azetidin-2-one
SMILESCC(C)(C)CN1CCC1=O
InChIInChI=1S/C8H15NO/c1-8(2,3)6-9-5-4-7(9)10/h4-6H2,1-3H3
InChIKeyCKHKDKMQRMHGMV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.26
Rot. Bonds1

About 1-(2,2-dimethylpropyl)azetidin-2-one

1-(2,2-dimethylpropyl)azetidin-2-one (PubChem CID 123450643) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)azetidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)azetidin-2-one
PubChem CID123450643
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(2,2-dimethylpropyl)azetidin-2-one
SMILESCC(C)(C)CN1CCC1=O
InChIInChI=1S/C8H15NO/c1-8(2,3)6-9-5-4-7(9)10/h4-6H2,1-3H3
InChIKeyCKHKDKMQRMHGMV-UHFFFAOYSA-N
XLogP1.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-2,2-dimethylpropanamide
CID 4194999
1-(Azetidin-1-yl)ethan-1-one
CID 14061673
2H-Azetidin-2-one, 2-methyl-
CID 137674
3-(Aminomethyl)-1-ethyl-3-methylazetidin-2-one
CID 137964369
1-Tert-butyl-2-azetidinone
CID 12307762
2-Azetidinone, 1-pentyl-
CID 12307763
Butyl-azetidinone
CID 20378085
1-(Azetidin-1-yl)propan-1-one
CID 20378091
1-(2-Methylpropyl)azetidin-2-one
CID 20395482
1-(Azetidin-1-yl)-2-methylpropan-1-one
CID 21340867
cis-Dimethyl-2-azetidinone
CID 22353206
1-Butan-2-ylazetidin-2-one
CID 59510799

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)azetidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)azetidin-2-one (CID 123450643) is 1-(2,2-dimethylpropyl)azetidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)azetidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)azetidin-2-one is CC(C)(C)CN1CCC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)azetidin-2-one?
The InChIKey is CKHKDKMQRMHGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)6-9-5-4-7(9)10/h4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)azetidin-2-one?
1-(2,2-dimethylpropyl)azetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)azetidin-2-one is sourced from PubChem (CID 123450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).