3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone

C18H20N2O2 — CID 24945377

IUPAC3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)co1)N1CC2CNCC(C2)C1
InChIInChI=1S/C18H20N2O2/c21-18(20-10-13-6-14(11-20)9-19-8-13)17-7-16(12-22-17)15-4-2-1-3-5-15/h1-5,7,12-14,19H,6,8-11H2
InChIKeyWRBGHVBVACEZKL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.63
Rot. Bonds2

About 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone

3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone (PubChem CID 24945377) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone
PubChem CID24945377
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)co1)N1CC2CNCC(C2)C1
InChIInChI=1S/C18H20N2O2/c21-18(20-10-13-6-14(11-20)9-19-8-13)17-7-16(12-22-17)15-4-2-1-3-5-15/h1-5,7,12-14,19H,6,8-11H2
InChIKeyWRBGHVBVACEZKL-UHFFFAOYSA-N
XLogP2.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone?
The IUPAC name of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone (CID 24945377) is 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone.
What is the SMILES notation for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone?
The canonical SMILES for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone is O=C(c1cc(-c2ccccc2)co1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone?
The InChIKey is WRBGHVBVACEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(20-10-13-6-14(11-20)9-19-8-13)17-7-16(12-22-17)15-4-2-1-3-5-15/h1-5,7,12-14,19H,6,8-11H2.
What are the key properties of 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone?
3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[3.3.1]nonan-3-yl-(4-phenylfuran-2-yl)methanone is sourced from PubChem (CID 24945377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).