(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone

C14H23NO2 — CID 112680674

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone
SMILESCN1C2CCC1CC(C(=O)C1CCOCC1)C2
InChIInChI=1S/C14H23NO2/c1-15-12-2-3-13(15)9-11(8-12)14(16)10-4-6-17-7-5-10/h10-13H,2-9H2,1H3
InChIKeyXYNVKFBNUIYYEG-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.85
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone (PubChem CID 112680674) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone
PubChem CID112680674
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone
SMILESCN1C2CCC1CC(C(=O)C1CCOCC1)C2
InChIInChI=1S/C14H23NO2/c1-15-12-2-3-13(15)9-11(8-12)14(16)10-4-6-17-7-5-10/h10-13H,2-9H2,1H3
InChIKeyXYNVKFBNUIYYEG-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 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone (CID 112680674) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone is CN1C2CCC1CC(C(=O)C1CCOCC1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone?
The InChIKey is XYNVKFBNUIYYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-15-12-2-3-13(15)9-11(8-12)14(16)10-4-6-17-7-5-10/h10-13H,2-9H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone 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 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 112680674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).