(3R,4R)-4-ethenyl-3-methylazetidin-2-one

C6H9NO — CID 134897774

IUPAC(3R,4R)-4-ethenyl-3-methylazetidin-2-one
SMILESC=C[C@H]1NC(=O)[C@@H]1C
InChIInChI=1S/C6H9NO/c1-3-5-4(2)6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyFPGWYPWJQCYOIS-RFZPGFLSSA-N
MW111.14 g/mol
LogP0.31
Rot. Bonds1

About (3R,4R)-4-ethenyl-3-methylazetidin-2-one

(3R,4R)-4-ethenyl-3-methylazetidin-2-one (PubChem CID 134897774) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (3R,4R)-4-ethenyl-3-methylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-ethenyl-3-methylazetidin-2-one
PubChem CID134897774
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(3R,4R)-4-ethenyl-3-methylazetidin-2-one
SMILESC=C[C@H]1NC(=O)[C@@H]1C
InChIInChI=1S/C6H9NO/c1-3-5-4(2)6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyFPGWYPWJQCYOIS-RFZPGFLSSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethenyl-3-methylazetidin-2-one?
The IUPAC name of (3R,4R)-4-ethenyl-3-methylazetidin-2-one (CID 134897774) is (3R,4R)-4-ethenyl-3-methylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-ethenyl-3-methylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-ethenyl-3-methylazetidin-2-one is C=C[C@H]1NC(=O)[C@@H]1C.
What is the InChIKey of (3R,4R)-4-ethenyl-3-methylazetidin-2-one?
The InChIKey is FPGWYPWJQCYOIS-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-5-4(2)6(8)7-5/h3-5H,1H2,2H3,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-4-ethenyl-3-methylazetidin-2-one?
(3R,4R)-4-ethenyl-3-methylazetidin-2-one has a molecular weight of 111.14 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethenyl-3-methylazetidin-2-one is sourced from PubChem (CID 134897774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).