(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C10H13ClN2O — CID 71028590

IUPAC(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESClc1ccc(CN2C[C@H]3C[C@@H]2CN3)o1
InChIInChI=1S/C10H13ClN2O/c11-10-2-1-9(14-10)6-13-5-7-3-8(13)4-12-7/h1-2,7-8,12H,3-6H2/t7-,8-/m1/s1
InChIKeySTXIZTRAWGYICB-HTQZYQBOSA-N
MW212.68 g/mol
LogP1.48
Rot. Bonds2

About (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 71028590) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID71028590
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESClc1ccc(CN2C[C@H]3C[C@@H]2CN3)o1
InChIInChI=1S/C10H13ClN2O/c11-10-2-1-9(14-10)6-13-5-7-3-8(13)4-12-7/h1-2,7-8,12H,3-6H2/t7-,8-/m1/s1
InChIKeySTXIZTRAWGYICB-HTQZYQBOSA-N
XLogP1.48
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 71028590) is (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Clc1ccc(CN2C[C@H]3C[C@@H]2CN3)o1.
What is the InChIKey of (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is STXIZTRAWGYICB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-2-1-9(14-10)6-13-5-7-3-8(13)4-12-7/h1-2,7-8,12H,3-6H2/t7-,8-/m1/s1.
What are the key properties of (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 212.68 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-[(5-chlorofuran-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 71028590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).