(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one

C12H15N3O — CID 141312605

IUPAC(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@@H]2CC[C@H](CN1c1cccnc1)N2
InChIInChI=1S/C12H15N3O/c16-12-6-9-3-4-10(14-9)8-15(12)11-2-1-5-13-7-11/h1-2,5,7,9-10,14H,3-4,6,8H2/t9-,10+/m0/s1
InChIKeyJEYAMAXJRCVVLU-VHSXEESVSA-N
MW217.27 g/mol
LogP0.94
Rot. Bonds1

About (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one

(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 141312605) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID141312605
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1C[C@@H]2CC[C@H](CN1c1cccnc1)N2
InChIInChI=1S/C12H15N3O/c16-12-6-9-3-4-10(14-9)8-15(12)11-2-1-5-13-7-11/h1-2,5,7,9-10,14H,3-4,6,8H2/t9-,10+/m0/s1
InChIKeyJEYAMAXJRCVVLU-VHSXEESVSA-N
XLogP0.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 141312605) is (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1C[C@@H]2CC[C@H](CN1c1cccnc1)N2.
What is the InChIKey of (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is JEYAMAXJRCVVLU-VHSXEESVSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-6-9-3-4-10(14-9)8-15(12)11-2-1-5-13-7-11/h1-2,5,7,9-10,14H,3-4,6,8H2/t9-,10+/m0/s1.
What are the key properties of (1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 217.27 g/mol, XLogP of 0.94, 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-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 141312605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).