(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one

C8H11NO — CID 98512573

IUPAC(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one
SMILESO=C1N[C@@H]2CCC[C@H]3[C@@H]1[C@@H]32
InChIInChI=1S/C8H11NO/c10-8-7-4-2-1-3-5(9-8)6(4)7/h4-7H,1-3H2,(H,9,10)/t4-,5-,6+,7-/m1/s1
InChIKeyRRYIVCBIOGTZAH-MVIOUDGNSA-N
MW137.18 g/mol
LogP0.53
Rot. Bonds

About (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one

(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one (PubChem CID 98512573) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one.

Molecular Properties

Compound Name(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one
PubChem CID98512573
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one
SMILESO=C1N[C@@H]2CCC[C@H]3[C@@H]1[C@@H]32
InChIInChI=1S/C8H11NO/c10-8-7-4-2-1-3-5(9-8)6(4)7/h4-7H,1-3H2,(H,9,10)/t4-,5-,6+,7-/m1/s1
InChIKeyRRYIVCBIOGTZAH-MVIOUDGNSA-N
XLogP0.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one?
The IUPAC name of (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one (CID 98512573) is (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one.
What is the SMILES notation for (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one?
The canonical SMILES for (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one is O=C1N[C@@H]2CCC[C@H]3[C@@H]1[C@@H]32.
What is the InChIKey of (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one?
The InChIKey is RRYIVCBIOGTZAH-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-7-4-2-1-3-5(9-8)6(4)7/h4-7H,1-3H2,(H,9,10)/t4-,5-,6+,7-/m1/s1.
What are the key properties of (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one?
(1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one has a molecular weight of 137.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,9R)-7-azatricyclo[4.3.0.02,9]nonan-8-one is sourced from PubChem (CID 98512573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).