(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone

C14H16N2O2 — CID 56692526

IUPAC(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H16N2O2/c17-13-9-4-10-7-16(12(13)11(10)5-9)14(18)8-2-1-3-15-6-8/h1-3,6,9-13,17H,4-5,7H2
InChIKeyOBOUCTCINQQRHL-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.92
Rot. Bonds1

About (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone

(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone (PubChem CID 56692526) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone
PubChem CID56692526
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C14H16N2O2/c17-13-9-4-10-7-16(12(13)11(10)5-9)14(18)8-2-1-3-15-6-8/h1-3,6,9-13,17H,4-5,7H2
InChIKeyOBOUCTCINQQRHL-UHFFFAOYSA-N
XLogP0.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone (CID 56692526) is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CC2CC3CC2C1C3O.
What is the InChIKey of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone?
The InChIKey is OBOUCTCINQQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-9-4-10-7-16(12(13)11(10)5-9)14(18)8-2-1-3-15-6-8/h1-3,6,9-13,17H,4-5,7H2.
What are the key properties of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone?
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone has a molecular weight of 244.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 56692526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).