2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone

C8H15NO2 — CID 165469773

IUPAC2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone
SMILESCNC1CC(C(=O)COC)C1
InChIInChI=1S/C8H15NO2/c1-9-7-3-6(4-7)8(10)5-11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyVDYYCRJVBMPXEU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.20
Rot. Bonds4

About 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone

2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone (PubChem CID 165469773) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone
PubChem CID165469773
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone
SMILESCNC1CC(C(=O)COC)C1
InChIInChI=1S/C8H15NO2/c1-9-7-3-6(4-7)8(10)5-11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyVDYYCRJVBMPXEU-UHFFFAOYSA-N
XLogP0.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone (CID 165469773) is 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone is CNC1CC(C(=O)COC)C1.
What is the InChIKey of 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone?
The InChIKey is VDYYCRJVBMPXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-7-3-6(4-7)8(10)5-11-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone?
2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(methylamino)cyclobutyl]ethanone is sourced from PubChem (CID 165469773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).