azetidin-3-yl(cycloocten-1-yl)methanone

C12H19NO — CID 106655454

IUPACazetidin-3-yl(cycloocten-1-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CNC1
InChIInChI=1S/C12H19NO/c14-12(11-8-13-9-11)10-6-4-2-1-3-5-7-10/h6,11,13H,1-5,7-9H2
InChIKeyAXJVOPWSVGQERH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds2

About azetidin-3-yl(cycloocten-1-yl)methanone

azetidin-3-yl(cycloocten-1-yl)methanone (PubChem CID 106655454) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is azetidin-3-yl(cycloocten-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl(cycloocten-1-yl)methanone
PubChem CID106655454
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameazetidin-3-yl(cycloocten-1-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CNC1
InChIInChI=1S/C12H19NO/c14-12(11-8-13-9-11)10-6-4-2-1-3-5-7-10/h6,11,13H,1-5,7-9H2
InChIKeyAXJVOPWSVGQERH-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 106651930
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
cyclohepten-1-yl-(3-methylcyclohexyl)methanone
CID 103450394
cycloocten-1-yl(pyrrolidin-2-yl)methanone
CID 106655084
1-(cycloocten-1-yl)-2-piperidin-3-ylethanone
CID 106655260
cyclohexen-1-yl(oxan-3-yl)methanone
CID 63011735
cycloheptene-1-carboxamide
CID 22261654
cyclohepten-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 106655114
cyclohepten-1-yl(3,4-dihydro-2H-chromen-3-yl)methanone
CID 106651928
cycloocten-1-yl(thiolan-2-yl)methanone
CID 106652102
1-(cyclohepten-1-yl)-3-piperidin-3-ylpropan-1-one
CID 106655243
cyclohexen-1-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 106655584

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl(cycloocten-1-yl)methanone?
The IUPAC name of azetidin-3-yl(cycloocten-1-yl)methanone (CID 106655454) is azetidin-3-yl(cycloocten-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl(cycloocten-1-yl)methanone?
The canonical SMILES for azetidin-3-yl(cycloocten-1-yl)methanone is O=C(C1=CCCCCCC1)C1CNC1.
What is the InChIKey of azetidin-3-yl(cycloocten-1-yl)methanone?
The InChIKey is AXJVOPWSVGQERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(11-8-13-9-11)10-6-4-2-1-3-5-7-10/h6,11,13H,1-5,7-9H2.
What are the key properties of azetidin-3-yl(cycloocten-1-yl)methanone?
azetidin-3-yl(cycloocten-1-yl)methanone has a molecular weight of 193.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl(cycloocten-1-yl)methanone is sourced from PubChem (CID 106655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).