(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone

C14H23NO3 — CID 171937668

IUPAC(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone
SMILESCN1C2COCC1CC(C(=O)C1CCOCC1)C2
InChIInChI=1S/C14H23NO3/c1-15-12-6-11(7-13(15)9-18-8-12)14(16)10-2-4-17-5-3-10/h10-13H,2-9H2,1H3
InChIKeyYIWMVAMLWDISBP-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.09
Rot. Bonds2

About (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone

(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone (PubChem CID 171937668) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone
PubChem CID171937668
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone
SMILESCN1C2COCC1CC(C(=O)C1CCOCC1)C2
InChIInChI=1S/C14H23NO3/c1-15-12-6-11(7-13(15)9-18-8-12)14(16)10-2-4-17-5-3-10/h10-13H,2-9H2,1H3
InChIKeyYIWMVAMLWDISBP-UHFFFAOYSA-N
XLogP1.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone?
The IUPAC name of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone (CID 171937668) is (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone is CN1C2COCC1CC(C(=O)C1CCOCC1)C2.
What is the InChIKey of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone?
The InChIKey is YIWMVAMLWDISBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-15-12-6-11(7-13(15)9-18-8-12)14(16)10-2-4-17-5-3-10/h10-13H,2-9H2,1H3.
What are the key properties of (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone?
(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 171937668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).