(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone

C11H13ClN2O2 — CID 68602639

IUPAC(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CC2CNCC1C2
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-6-7-3-8(14)5-13-4-7/h1-2,7-8,13H,3-6H2
InChIKeyAVEIEPHYJNSEDG-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.37
Rot. Bonds1

About (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone

(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 68602639) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID68602639
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone
SMILESO=C(c1ccc(Cl)o1)N1CC2CNCC1C2
InChIInChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-6-7-3-8(14)5-13-4-7/h1-2,7-8,13H,3-6H2
InChIKeyAVEIEPHYJNSEDG-UHFFFAOYSA-N
XLogP1.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diazabicyclo[3.2.2]nonan-6-yl-(5-methylfuran-2-yl)methanone
CID 45111537
(5-chlorofuran-2-yl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 130690334
(2S,4S)-1-(5-chlorofuran-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28790231
(4-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.2]nonan-6-yl)methanone
CID 45111539
1-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-6-yl]ethanone
CID 58488076
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584
N-(azetidin-3-yl)-5-chloro-N-methylfuran-2-carboxamide
CID 66185904
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738161
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934136

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone (CID 68602639) is (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone is O=C(c1ccc(Cl)o1)N1CC2CNCC1C2.
What is the InChIKey of (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is AVEIEPHYJNSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-2-1-9(16-10)11(15)14-6-7-3-8(14)5-13-4-7/h1-2,7-8,13H,3-6H2.
What are the key properties of (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone?
(5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(3,6-diazabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 68602639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).