6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one

C11H7NO — CID 175957437

IUPAC6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one
SMILESO=C1N=CC2=CCC=C3C=CC1=C32
InChIInChI=1S/C11H7NO/c13-11-9-5-4-7-2-1-3-8(6-12-11)10(7)9/h2-6H,1H2
InChIKeyVKYKNGQQKBPTQK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.72
Rot. Bonds

About 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one

6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one (PubChem CID 175957437) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one.

Molecular Properties

Compound Name6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one
PubChem CID175957437
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one
SMILESO=C1N=CC2=CCC=C3C=CC1=C32
InChIInChI=1S/C11H7NO/c13-11-9-5-4-7-2-1-3-8(6-12-11)10(7)9/h2-6H,1H2
InChIKeyVKYKNGQQKBPTQK-UHFFFAOYSA-N
XLogP1.72
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one?
The IUPAC name of 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one (CID 175957437) is 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one.
What is the SMILES notation for 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one?
The canonical SMILES for 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one is O=C1N=CC2=CCC=C3C=CC1=C32.
What is the InChIKey of 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one?
The InChIKey is VKYKNGQQKBPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c13-11-9-5-4-7-2-1-3-8(6-12-11)10(7)9/h2-6H,1H2.
What are the key properties of 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one?
6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one has a molecular weight of 169.18 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),6,8-pentaen-5-one is sourced from PubChem (CID 175957437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).