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

C14H23NO2 — CID 66370991

IUPAC4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C14H23NO2/c1-10-2-5-14(16)11(6-10)7-15-8-12-3-4-13(9-15)17-12/h10-13H,2-9H2,1H3
InChIKeyYOHSRTYTVGYTGS-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.85
Rot. Bonds2

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

4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one (PubChem CID 66370991) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
PubChem CID66370991
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC3CCC(C2)O3)C1
InChIInChI=1S/C14H23NO2/c1-10-2-5-14(16)11(6-10)7-15-8-12-3-4-13(9-15)17-12/h10-13H,2-9H2,1H3
InChIKeyYOHSRTYTVGYTGS-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one (CID 66370991) is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one is CC1CCC(=O)C(CN2CC3CCC(C2)O3)C1.
What is the InChIKey of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
The InChIKey is YOHSRTYTVGYTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-2-5-14(16)11(6-10)7-15-8-12-3-4-13(9-15)17-12/h10-13H,2-9H2,1H3.
What are the key properties of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one?
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one has a molecular weight of 237.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 66370991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).