4-(2,4,6-trimethylphenyl)azetidin-2-one

C12H15NO — CID 64664712

IUPAC4-(2,4,6-trimethylphenyl)azetidin-2-one
SMILESCc1cc(C)c(C2CC(=O)N2)c(C)c1
InChIInChI=1S/C12H15NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)13-10/h4-5,10H,6H2,1-3H3,(H,13,14)
InChIKeyIKCRRIDCYNDPDX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.17
Rot. Bonds1

About 4-(2,4,6-trimethylphenyl)azetidin-2-one

4-(2,4,6-trimethylphenyl)azetidin-2-one (PubChem CID 64664712) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)azetidin-2-one
PubChem CID64664712
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(2,4,6-trimethylphenyl)azetidin-2-one
SMILESCc1cc(C)c(C2CC(=O)N2)c(C)c1
InChIInChI=1S/C12H15NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)13-10/h4-5,10H,6H2,1-3H3,(H,13,14)
InChIKeyIKCRRIDCYNDPDX-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)azetidin-2-one?
The IUPAC name of 4-(2,4,6-trimethylphenyl)azetidin-2-one (CID 64664712) is 4-(2,4,6-trimethylphenyl)azetidin-2-one.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)azetidin-2-one?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)azetidin-2-one is Cc1cc(C)c(C2CC(=O)N2)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)azetidin-2-one?
The InChIKey is IKCRRIDCYNDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)13-10/h4-5,10H,6H2,1-3H3,(H,13,14).
What are the key properties of 4-(2,4,6-trimethylphenyl)azetidin-2-one?
4-(2,4,6-trimethylphenyl)azetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)azetidin-2-one is sourced from PubChem (CID 64664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).