3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one

C10H15NO2 — CID 127006881

IUPAC3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1(C)CN(C2=CC(=O)CC2)C1
InChIInChI=1S/C10H15NO2/c1-10(13-2)6-11(7-10)8-3-4-9(12)5-8/h5H,3-4,6-7H2,1-2H3
InChIKeyMOCFMBUGQYULRH-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.95
Rot. Bonds2

About 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one

3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one (PubChem CID 127006881) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one
PubChem CID127006881
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one
SMILESCOC1(C)CN(C2=CC(=O)CC2)C1
InChIInChI=1S/C10H15NO2/c1-10(13-2)6-11(7-10)8-3-4-9(12)5-8/h5H,3-4,6-7H2,1-2H3
InChIKeyMOCFMBUGQYULRH-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one (CID 127006881) is 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one is COC1(C)CN(C2=CC(=O)CC2)C1.
What is the InChIKey of 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is MOCFMBUGQYULRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(13-2)6-11(7-10)8-3-4-9(12)5-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one?
3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 181.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylazetidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 127006881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).