cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H25NO2 — CID 171937716

IUPACcyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)11-5-3-2-4-6-11/h11-14H,2-10H2,1H3
InChIKeyUKZSQBPGEKXSLT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.24
Rot. Bonds2

About cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171937716) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171937716
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Namecyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)C1CCCCC1)C2
InChIInChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)11-5-3-2-4-6-11/h11-14H,2-10H2,1H3
InChIKeyUKZSQBPGEKXSLT-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 cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171937716) is cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)C1CCCCC1)C2.
What is the InChIKey of cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is UKZSQBPGEKXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16-13-7-12(8-14(16)10-18-9-13)15(17)11-5-3-2-4-6-11/h11-14H,2-10H2,1H3.
What are the key properties of cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone 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 cyclohexyl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171937716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).