1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone

C9H15NO2 — CID 131131784

IUPAC1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CC(C2CCC2)C1
InChIInChI=1S/C9H15NO2/c11-6-9(12)10-4-8(5-10)7-2-1-3-7/h7-8,11H,1-6H2
InChIKeyVWNJHWUUYVHIHA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds2

About 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone

1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone (PubChem CID 131131784) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone
PubChem CID131131784
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone
SMILESO=C(CO)N1CC(C2CCC2)C1
InChIInChI=1S/C9H15NO2/c11-6-9(12)10-4-8(5-10)7-2-1-3-7/h7-8,11H,1-6H2
InChIKeyVWNJHWUUYVHIHA-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone (CID 131131784) is 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone is O=C(CO)N1CC(C2CCC2)C1.
What is the InChIKey of 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone?
The InChIKey is VWNJHWUUYVHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-6-9(12)10-4-8(5-10)7-2-1-3-7/h7-8,11H,1-6H2.
What are the key properties of 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone?
1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone has a molecular weight of 169.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 131131784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).