(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

C11H15N3O — CID 23634540

IUPAC(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCOc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H15N3O/c1-15-10-2-9(4-12-5-10)14-6-8-3-13-11(8)7-14/h2,4-5,8,11,13H,3,6-7H2,1H3/t8-,11+/m1/s1
InChIKeyRBXPHLOPXMOBNI-KCJUWKMLSA-N
MW205.26 g/mol
LogP0.50
Rot. Bonds2

About (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane

(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 23634540) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
PubChem CID23634540
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane
SMILESCOc1cncc(N2C[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H15N3O/c1-15-10-2-9(4-12-5-10)14-6-8-3-13-11(8)7-14/h2,4-5,8,11,13H,3,6-7H2,1H3/t8-,11+/m1/s1
InChIKeyRBXPHLOPXMOBNI-KCJUWKMLSA-N
XLogP0.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane (CID 23634540) is (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is COc1cncc(N2C[C@H]3CN[C@H]3C2)c1.
What is the InChIKey of (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is RBXPHLOPXMOBNI-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-10-2-9(4-12-5-10)14-6-8-3-13-11(8)7-14/h2,4-5,8,11,13H,3,6-7H2,1H3/t8-,11+/m1/s1.
What are the key properties of (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane?
(1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 205.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(5-methoxy-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 23634540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).