4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one

C11H7NO — CID 151938123

IUPAC4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one
SMILESO=C1C=CC23C=CN=C2C=CC1=C3
InChIInChI=1S/C11H7NO/c13-9-3-4-11-5-6-12-10(11)2-1-8(9)7-11/h1-7H
InChIKeyTUBPEXMIHZTBSK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.58
Rot. Bonds

About 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one

4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one (PubChem CID 151938123) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one.

Molecular Properties

Compound Name4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one
PubChem CID151938123
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one
SMILESO=C1C=CC23C=CN=C2C=CC1=C3
InChIInChI=1S/C11H7NO/c13-9-3-4-11-5-6-12-10(11)2-1-8(9)7-11/h1-7H
InChIKeyTUBPEXMIHZTBSK-UHFFFAOYSA-N
XLogP1.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one?
The IUPAC name of 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one (CID 151938123) is 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one.
What is the SMILES notation for 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one?
The canonical SMILES for 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one is O=C1C=CC23C=CN=C2C=CC1=C3.
What is the InChIKey of 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one?
The InChIKey is TUBPEXMIHZTBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c13-9-3-4-11-5-6-12-10(11)2-1-8(9)7-11/h1-7H.
What are the key properties of 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one?
4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one has a molecular weight of 169.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[6.3.1.01,5]dodeca-2,4,6,8(12),10-pentaen-9-one is sourced from PubChem (CID 151938123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).