4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one

C16H21NO3S — CID 21268063

IUPAC4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
SMILESCC1C(C/C=C/c2cccs2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C16H21NO3S/c1-12-14(8-4-6-13-7-5-11-21-13)16(18)17(12)20-15-9-2-3-10-19-15/h4-7,11-12,14-15H,2-3,8-10H2,1H3/b6-4+
InChIKeyZLPKZRKZOHWXPI-GQCTYLIASA-N
MW307.41 g/mol
LogP3.46
Rot. Bonds5

About 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one

4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one (PubChem CID 21268063) has the molecular formula C16H21NO3S and a molecular weight of 307.41 g/mol. Its IUPAC name is 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
PubChem CID21268063
Molecular FormulaC16H21NO3S
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one
SMILESCC1C(C/C=C/c2cccs2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C16H21NO3S/c1-12-14(8-4-6-13-7-5-11-21-13)16(18)17(12)20-15-9-2-3-10-19-15/h4-7,11-12,14-15H,2-3,8-10H2,1H3/b6-4+
InChIKeyZLPKZRKZOHWXPI-GQCTYLIASA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one?
The IUPAC name of 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one (CID 21268063) is 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one.
What is the SMILES notation for 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one?
The canonical SMILES for 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one is CC1C(C/C=C/c2cccs2)C(=O)N1OC1CCCCO1.
What is the InChIKey of 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one?
The InChIKey is ZLPKZRKZOHWXPI-GQCTYLIASA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12-14(8-4-6-13-7-5-11-21-13)16(18)17(12)20-15-9-2-3-10-19-15/h4-7,11-12,14-15H,2-3,8-10H2,1H3/b6-4+.
What are the key properties of 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one?
4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one has a molecular weight of 307.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-2-yloxy)-3-[(E)-3-thiophen-2-ylprop-2-enyl]azetidin-2-one is sourced from PubChem (CID 21268063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).