3-ethyl-1-methyl-3-phenylazetidin-2-one

C12H15NO — CID 15898

IUPAC3-ethyl-1-methyl-3-phenylazetidin-2-one
SMILESCCC1(c2ccccc2)CN(C)C1=O
InChIInChI=1S/C12H15NO/c1-3-12(9-13(2)11(12)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyMPEXVFWFXHUJME-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.81
Rot. Bonds2

About 3-ethyl-1-methyl-3-phenylazetidin-2-one

3-ethyl-1-methyl-3-phenylazetidin-2-one (PubChem CID 15898) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-ethyl-1-methyl-3-phenylazetidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-3-phenylazetidin-2-one
PubChem CID15898
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-ethyl-1-methyl-3-phenylazetidin-2-one
SMILESCCC1(c2ccccc2)CN(C)C1=O
InChIInChI=1S/C12H15NO/c1-3-12(9-13(2)11(12)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyMPEXVFWFXHUJME-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Spiro-carboxamide scaffold, 12
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-3-phenylazetidin-2-one?
The IUPAC name of 3-ethyl-1-methyl-3-phenylazetidin-2-one (CID 15898) is 3-ethyl-1-methyl-3-phenylazetidin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-3-phenylazetidin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-3-phenylazetidin-2-one is CCC1(c2ccccc2)CN(C)C1=O.
What is the InChIKey of 3-ethyl-1-methyl-3-phenylazetidin-2-one?
The InChIKey is MPEXVFWFXHUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-12(9-13(2)11(12)14)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-3-phenylazetidin-2-one?
3-ethyl-1-methyl-3-phenylazetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-3-phenylazetidin-2-one is sourced from PubChem (CID 15898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).