1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one

C12H15NO2 — CID 67937600

IUPAC1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one
SMILESCOc1cccc(C(C)N2CCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9(13-7-6-12(13)14)10-4-3-5-11(8-10)15-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKGOPBRFWVLQLQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one

1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one (PubChem CID 67937600) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one
PubChem CID67937600
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one
SMILESCOc1cccc(C(C)N2CCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9(13-7-6-12(13)14)10-4-3-5-11(8-10)15-2/h3-5,8-9H,6-7H2,1-2H3
InChIKeyKGOPBRFWVLQLQC-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one?
The IUPAC name of 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one (CID 67937600) is 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one?
The canonical SMILES for 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one is COc1cccc(C(C)N2CCC2=O)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one?
The InChIKey is KGOPBRFWVLQLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(13-7-6-12(13)14)10-4-3-5-11(8-10)15-2/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one?
1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)ethyl]azetidin-2-one is sourced from PubChem (CID 67937600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).