(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one

C11H11NO — CID 7060632

IUPAC(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
SMILESO=C1C[C@H]2NCCc3cccc1c32
InChIInChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2/t9-/m1/s1
InChIKeyCQWOTKCLUYJOPP-SECBINFHSA-N
MW173.22 g/mol
LogP1.46
Rot. Bonds

About (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one

(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one (PubChem CID 7060632) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one.

Molecular Properties

Compound Name(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
PubChem CID7060632
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
SMILESO=C1C[C@H]2NCCc3cccc1c32
InChIInChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2/t9-/m1/s1
InChIKeyCQWOTKCLUYJOPP-SECBINFHSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The IUPAC name of (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one (CID 7060632) is (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one.
What is the SMILES notation for (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The canonical SMILES for (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one is O=C1C[C@H]2NCCc3cccc1c32.
What is the InChIKey of (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
The InChIKey is CQWOTKCLUYJOPP-SECBINFHSA-N. The full InChI is InChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2/t9-/m1/s1.
What are the key properties of (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one?
(4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one has a molecular weight of 173.22 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one is sourced from PubChem (CID 7060632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).