3-(2-adamantyl)-3-methylazetidin-2-one

C14H21NO — CID 86123439

IUPAC3-(2-adamantyl)-3-methylazetidin-2-one
SMILESCC1(C2C3CC4CC(C3)CC2C4)CNC1=O
InChIInChI=1S/C14H21NO/c1-14(7-15-13(14)16)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyPQFARZAFBXTBEZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.19
Rot. Bonds1

About 3-(2-adamantyl)-3-methylazetidin-2-one

3-(2-adamantyl)-3-methylazetidin-2-one (PubChem CID 86123439) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2-adamantyl)-3-methylazetidin-2-one.

Molecular Properties

Compound Name3-(2-adamantyl)-3-methylazetidin-2-one
PubChem CID86123439
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2-adamantyl)-3-methylazetidin-2-one
SMILESCC1(C2C3CC4CC(C3)CC2C4)CNC1=O
InChIInChI=1S/C14H21NO/c1-14(7-15-13(14)16)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3,(H,15,16)
InChIKeyPQFARZAFBXTBEZ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-3-methylazetidin-2-one?
The IUPAC name of 3-(2-adamantyl)-3-methylazetidin-2-one (CID 86123439) is 3-(2-adamantyl)-3-methylazetidin-2-one.
What is the SMILES notation for 3-(2-adamantyl)-3-methylazetidin-2-one?
The canonical SMILES for 3-(2-adamantyl)-3-methylazetidin-2-one is CC1(C2C3CC4CC(C3)CC2C4)CNC1=O.
What is the InChIKey of 3-(2-adamantyl)-3-methylazetidin-2-one?
The InChIKey is PQFARZAFBXTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(7-15-13(14)16)12-10-3-8-2-9(5-10)6-11(12)4-8/h8-12H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(2-adamantyl)-3-methylazetidin-2-one?
3-(2-adamantyl)-3-methylazetidin-2-one has a molecular weight of 219.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-3-methylazetidin-2-one is sourced from PubChem (CID 86123439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).