4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one

C15H25NO2 — CID 66369416

IUPAC4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
SMILESCC1(C)CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C15H25NO2/c1-15(2)6-5-14(17)11(7-15)8-16-9-12-3-4-13(10-16)18-12/h11-13H,3-10H2,1-2H3
InChIKeyZCOHUZMOPAXLEH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds2

About 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one

4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one (PubChem CID 66369416) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
PubChem CID66369416
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
SMILESCC1(C)CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C15H25NO2/c1-15(2)6-5-14(17)11(7-15)8-16-9-12-3-4-13(10-16)18-12/h11-13H,3-10H2,1-2H3
InChIKeyZCOHUZMOPAXLEH-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one (CID 66369416) is 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one is CC1(C)CCC(=O)C(CN2CC3CCC(C2)O3)C1.
What is the InChIKey of 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The InChIKey is ZCOHUZMOPAXLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2)6-5-14(17)11(7-15)8-16-9-12-3-4-13(10-16)18-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 66369416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).