1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

C11H9NO — CID 10241240

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESO=c1ccc2cccc3c2n1CC3
InChIInChI=1S/C11H9NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-5H,6-7H2
InChIKeyXPFRTICCNRDEAK-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.56
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one

1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (PubChem CID 10241240) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
PubChem CID10241240
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one
SMILESO=c1ccc2cccc3c2n1CC3
InChIInChI=1S/C11H9NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-5H,6-7H2
InChIKeyXPFRTICCNRDEAK-UHFFFAOYSA-N
XLogP1.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one (CID 10241240) is 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is O=c1ccc2cccc3c2n1CC3.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
The InChIKey is XPFRTICCNRDEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-5H,6-7H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one?
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one has a molecular weight of 171.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-11-one is sourced from PubChem (CID 10241240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).