2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone

C18H22N2O2 — CID 160643718

IUPAC2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
SMILESCC1(C)[C@H](CC(=O)c2cc3ccoc3cn2)C2CCN1CC2
InChIInChI=1S/C18H22N2O2/c1-18(2)14(12-3-6-20(18)7-4-12)10-16(21)15-9-13-5-8-22-17(13)11-19-15/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3/t14-/m1/s1
InChIKeyLVQGAGXBRBZSKE-CQSZACIVSA-N
MW298.39 g/mol
LogP3.52
Rot. Bonds3

About 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone

2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone (PubChem CID 160643718) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone.

Molecular Properties

Compound Name2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
PubChem CID160643718
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
SMILESCC1(C)[C@H](CC(=O)c2cc3ccoc3cn2)C2CCN1CC2
InChIInChI=1S/C18H22N2O2/c1-18(2)14(12-3-6-20(18)7-4-12)10-16(21)15-9-13-5-8-22-17(13)11-19-15/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3/t14-/m1/s1
InChIKeyLVQGAGXBRBZSKE-CQSZACIVSA-N
XLogP3.52
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone?
The IUPAC name of 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone (CID 160643718) is 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone.
What is the SMILES notation for 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone?
The canonical SMILES for 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone is CC1(C)[C@H](CC(=O)c2cc3ccoc3cn2)C2CCN1CC2.
What is the InChIKey of 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone?
The InChIKey is LVQGAGXBRBZSKE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)14(12-3-6-20(18)7-4-12)10-16(21)15-9-13-5-8-22-17(13)11-19-15/h5,8-9,11-12,14H,3-4,6-7,10H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone?
2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone has a molecular weight of 298.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone is sourced from PubChem (CID 160643718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).