(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone

C12H15ClN2O2 — CID 45111539

IUPAC(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
SMILESO=C(c1cc(Cl)co1)N1CC2CCC1CNC2
InChIInChI=1S/C12H15ClN2O2/c13-9-3-11(17-7-9)12(16)15-6-8-1-2-10(15)5-14-4-8/h3,7-8,10,14H,1-2,4-6H2
InChIKeyDNMMIGMOFDGSRF-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.76
Rot. Bonds1

About (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone

(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone (PubChem CID 45111539) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone.

Molecular Properties

Compound Name(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
PubChem CID45111539
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
SMILESO=C(c1cc(Cl)co1)N1CC2CCC1CNC2
InChIInChI=1S/C12H15ClN2O2/c13-9-3-11(17-7-9)12(16)15-6-8-1-2-10(15)5-14-4-8/h3,7-8,10,14H,1-2,4-6H2
InChIKeyDNMMIGMOFDGSRF-UHFFFAOYSA-N
XLogP1.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone?
The IUPAC name of (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone (CID 45111539) is (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone.
What is the SMILES notation for (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone?
The canonical SMILES for (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone is O=C(c1cc(Cl)co1)N1CC2CCC1CNC2.
What is the InChIKey of (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone?
The InChIKey is DNMMIGMOFDGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-3-11(17-7-9)12(16)15-6-8-1-2-10(15)5-14-4-8/h3,7-8,10,14H,1-2,4-6H2.
What are the key properties of (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone?
(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone is sourced from PubChem (CID 45111539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).