(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane

C11H15N3 — CID 10058322

IUPAC(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
SMILESc1cncc(N2CC[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-2-10(7-12-4-1)14-5-3-9-6-13-11(9)8-14/h1-2,4,7,9,11,13H,3,5-6,8H2/t9-,11-/m0/s1
InChIKeyFDOUKQXLQIXJFX-ONGXEEELSA-N
MW189.26 g/mol
LogP0.88
Rot. Bonds1

About (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane

(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane (PubChem CID 10058322) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
PubChem CID10058322
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
SMILESc1cncc(N2CC[C@H]3CN[C@H]3C2)c1
InChIInChI=1S/C11H15N3/c1-2-10(7-12-4-1)14-5-3-9-6-13-11(9)8-14/h1-2,4,7,9,11,13H,3,5-6,8H2/t9-,11-/m0/s1
InChIKeyFDOUKQXLQIXJFX-ONGXEEELSA-N
XLogP0.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane (CID 10058322) is (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane is c1cncc(N2CC[C@H]3CN[C@H]3C2)c1.
What is the InChIKey of (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane?
The InChIKey is FDOUKQXLQIXJFX-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-10(7-12-4-1)14-5-3-9-6-13-11(9)8-14/h1-2,4,7,9,11,13H,3,5-6,8H2/t9-,11-/m0/s1.
What are the key properties of (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane?
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 189.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 10058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).