3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone

C13H17NO2 — CID 25094463

IUPAC3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CC2CNCC(C2)C1
InChIInChI=1S/C13H17NO2/c15-13(12-2-1-3-16-12)11-5-9-4-10(6-11)8-14-7-9/h1-3,9-11,14H,4-8H2
InChIKeyXMOYAAVIEIXMBH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.10
Rot. Bonds2

About 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone

3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone (PubChem CID 25094463) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone
PubChem CID25094463
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone
SMILESO=C(c1ccco1)C1CC2CNCC(C2)C1
InChIInChI=1S/C13H17NO2/c15-13(12-2-1-3-16-12)11-5-9-4-10(6-11)8-14-7-9/h1-3,9-11,14H,4-8H2
InChIKeyXMOYAAVIEIXMBH-UHFFFAOYSA-N
XLogP2.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone (CID 25094463) is 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone is O=C(c1ccco1)C1CC2CNCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone?
The InChIKey is XMOYAAVIEIXMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(12-2-1-3-16-12)11-5-9-4-10(6-11)8-14-7-9/h1-3,9-11,14H,4-8H2.
What are the key properties of 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone?
3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone is sourced from PubChem (CID 25094463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).