1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one

C10H17NO — CID 130214606

IUPAC1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one
SMILESCC(=O)CC1CC(N2CCC2)C1
InChIInChI=1S/C10H17NO/c1-8(12)5-9-6-10(7-9)11-3-2-4-11/h9-10H,2-7H2,1H3
InChIKeyUWFMREBYQJRLIX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds3

About 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one

1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one (PubChem CID 130214606) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one
PubChem CID130214606
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one
SMILESCC(=O)CC1CC(N2CCC2)C1
InChIInChI=1S/C10H17NO/c1-8(12)5-9-6-10(7-9)11-3-2-4-11/h9-10H,2-7H2,1H3
InChIKeyUWFMREBYQJRLIX-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one?
The IUPAC name of 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one (CID 130214606) is 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one.
What is the SMILES notation for 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one?
The canonical SMILES for 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one is CC(=O)CC1CC(N2CCC2)C1.
What is the InChIKey of 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one?
The InChIKey is UWFMREBYQJRLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(12)5-9-6-10(7-9)11-3-2-4-11/h9-10H,2-7H2,1H3.
What are the key properties of 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one?
1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)cyclobutyl]propan-2-one is sourced from PubChem (CID 130214606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).