8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone

C16H20N2O2 — CID 66369499

IUPAC8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESO=C(C1CNc2ccccc2C1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H20N2O2/c19-16(18-9-13-5-6-14(10-18)20-13)12-7-11-3-1-2-4-15(11)17-8-12/h1-4,12-14,17H,5-10H2
InChIKeyJTVOKXAXDVZFMQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.66
Rot. Bonds1

About 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone

8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone (PubChem CID 66369499) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
PubChem CID66369499
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESO=C(C1CNc2ccccc2C1)N1CC2CCC(C1)O2
InChIInChI=1S/C16H20N2O2/c19-16(18-9-13-5-6-14(10-18)20-13)12-7-11-3-1-2-4-15(11)17-8-12/h1-4,12-14,17H,5-10H2
InChIKeyJTVOKXAXDVZFMQ-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone (CID 66369499) is 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone is O=C(C1CNc2ccccc2C1)N1CC2CCC(C1)O2.
What is the InChIKey of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The InChIKey is JTVOKXAXDVZFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-9-13-5-6-14(10-18)20-13)12-7-11-3-1-2-4-15(11)17-8-12/h1-4,12-14,17H,5-10H2.
What are the key properties of 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-3-azabicyclo[3.2.1]octan-3-yl(1,2,3,4-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 66369499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).