2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone

C12H21NO — CID 159454213

IUPAC2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone
SMILESCC(C)(C)N1CC(CC(=O)C2CC2)C1
InChIInChI=1S/C12H21NO/c1-12(2,3)13-7-9(8-13)6-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyLTTKXCWMRJTHCY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone

2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone (PubChem CID 159454213) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone
PubChem CID159454213
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone
SMILESCC(C)(C)N1CC(CC(=O)C2CC2)C1
InChIInChI=1S/C12H21NO/c1-12(2,3)13-7-9(8-13)6-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3
InChIKeyLTTKXCWMRJTHCY-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone?
The IUPAC name of 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone (CID 159454213) is 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone?
The canonical SMILES for 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone is CC(C)(C)N1CC(CC(=O)C2CC2)C1.
What is the InChIKey of 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone?
The InChIKey is LTTKXCWMRJTHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)13-7-9(8-13)6-11(14)10-4-5-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone?
2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone has a molecular weight of 195.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazetidin-3-yl)-1-cyclopropylethanone is sourced from PubChem (CID 159454213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).