1,2,2-trimethylazetidin-3-one

C6H11NO — CID 21133868

IUPAC1,2,2-trimethylazetidin-3-one
SMILESCN1CC(=O)C1(C)C
InChIInChI=1S/C6H11NO/c1-6(2)5(8)4-7(6)3/h4H2,1-3H3
InChIKeyCBCYOHVVZGMLDO-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.28
Rot. Bonds

About 1,2,2-trimethylazetidin-3-one

1,2,2-trimethylazetidin-3-one (PubChem CID 21133868) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,2,2-trimethylazetidin-3-one.

Molecular Properties

Compound Name1,2,2-trimethylazetidin-3-one
PubChem CID21133868
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,2,2-trimethylazetidin-3-one
SMILESCN1CC(=O)C1(C)C
InChIInChI=1S/C6H11NO/c1-6(2)5(8)4-7(6)3/h4H2,1-3H3
InChIKeyCBCYOHVVZGMLDO-UHFFFAOYSA-N
XLogP0.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethylazetidin-3-one?
The IUPAC name of 1,2,2-trimethylazetidin-3-one (CID 21133868) is 1,2,2-trimethylazetidin-3-one.
What is the SMILES notation for 1,2,2-trimethylazetidin-3-one?
The canonical SMILES for 1,2,2-trimethylazetidin-3-one is CN1CC(=O)C1(C)C.
What is the InChIKey of 1,2,2-trimethylazetidin-3-one?
The InChIKey is CBCYOHVVZGMLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-6(2)5(8)4-7(6)3/h4H2,1-3H3.
What are the key properties of 1,2,2-trimethylazetidin-3-one?
1,2,2-trimethylazetidin-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethylazetidin-3-one is sourced from PubChem (CID 21133868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).