1-azatricyclo[6.2.1.02,7]undec-6-en-4-one

C10H13NO — CID 141060712

IUPAC1-azatricyclo[6.2.1.02,7]undec-6-en-4-one
SMILESO=C1CC=C2C3CCN(C3)C2C1
InChIInChI=1S/C10H13NO/c12-8-1-2-9-7-3-4-11(6-7)10(9)5-8/h2,7,10H,1,3-6H2
InChIKeyCHDVWFQLSAMDJL-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.98
Rot. Bonds

About 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one

1-azatricyclo[6.2.1.02,7]undec-6-en-4-one (PubChem CID 141060712) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one.

Molecular Properties

Compound Name1-azatricyclo[6.2.1.02,7]undec-6-en-4-one
PubChem CID141060712
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-azatricyclo[6.2.1.02,7]undec-6-en-4-one
SMILESO=C1CC=C2C3CCN(C3)C2C1
InChIInChI=1S/C10H13NO/c12-8-1-2-9-7-3-4-11(6-7)10(9)5-8/h2,7,10H,1,3-6H2
InChIKeyCHDVWFQLSAMDJL-UHFFFAOYSA-N
XLogP0.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one?
The IUPAC name of 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one (CID 141060712) is 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one.
What is the SMILES notation for 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one?
The canonical SMILES for 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one is O=C1CC=C2C3CCN(C3)C2C1.
What is the InChIKey of 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one?
The InChIKey is CHDVWFQLSAMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-8-1-2-9-7-3-4-11(6-7)10(9)5-8/h2,7,10H,1,3-6H2.
What are the key properties of 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one?
1-azatricyclo[6.2.1.02,7]undec-6-en-4-one has a molecular weight of 163.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.2.1.02,7]undec-6-en-4-one is sourced from PubChem (CID 141060712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).