3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone

C20H19NO3 — CID 71795943

IUPAC3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1C2CCC1COC2
InChIInChI=1S/C20H19NO3/c22-20(21-13-9-10-14(21)12-23-11-13)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-8,13-14,19H,9-12H2
InChIKeyMGQXSKCKGNJXRL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.31
Rot. Bonds1

About 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone

3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone (PubChem CID 71795943) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone
PubChem CID71795943
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone
SMILESO=C(C1c2ccccc2Oc2ccccc21)N1C2CCC1COC2
InChIInChI=1S/C20H19NO3/c22-20(21-13-9-10-14(21)12-23-11-13)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-8,13-14,19H,9-12H2
InChIKeyMGQXSKCKGNJXRL-UHFFFAOYSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone?
The IUPAC name of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone (CID 71795943) is 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone.
What is the SMILES notation for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone?
The canonical SMILES for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone is O=C(C1c2ccccc2Oc2ccccc21)N1C2CCC1COC2.
What is the InChIKey of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone?
The InChIKey is MGQXSKCKGNJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-20(21-13-9-10-14(21)12-23-11-13)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)19/h1-8,13-14,19H,9-12H2.
What are the key properties of 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone?
3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-8-azabicyclo[3.2.1]octan-8-yl(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 71795943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).