2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C16H20N2O — CID 62849199

IUPAC2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CC2CCC1C2
InChIInChI=1S/C16H20N2O/c19-16(18-10-11-6-7-12(18)9-11)14-3-1-5-15-13(14)4-2-8-17-15/h1,3,5,11-12,17H,2,4,6-10H2
InChIKeyCLRJALAIYZMNAI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.67
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone

2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 62849199) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID62849199
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESO=C(c1cccc2c1CCCN2)N1CC2CCC1C2
InChIInChI=1S/C16H20N2O/c19-16(18-10-11-6-7-12(18)9-11)14-3-1-5-15-13(14)4-2-8-17-15/h1,3,5,11-12,17H,2,4,6-10H2
InChIKeyCLRJALAIYZMNAI-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 62849199) is 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is O=C(c1cccc2c1CCCN2)N1CC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is CLRJALAIYZMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(18-10-11-6-7-12(18)9-11)14-3-1-5-15-13(14)4-2-8-17-15/h1,3,5,11-12,17H,2,4,6-10H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 62849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).