1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one

C11H13NO — CID 58709752

IUPAC1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one
SMILESO=C1CCC2=CC=CC3CCN1C23
InChIInChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3,9,11H,4-7H2
InChIKeyDHQWKWBHWMNVOS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.49
Rot. Bonds

About 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one

1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one (PubChem CID 58709752) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one.

Molecular Properties

Compound Name1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one
PubChem CID58709752
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one
SMILESO=C1CCC2=CC=CC3CCN1C23
InChIInChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3,9,11H,4-7H2
InChIKeyDHQWKWBHWMNVOS-UHFFFAOYSA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one?
The IUPAC name of 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one (CID 58709752) is 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one.
What is the SMILES notation for 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one?
The canonical SMILES for 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one is O=C1CCC2=CC=CC3CCN1C23.
What is the InChIKey of 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one?
The InChIKey is DHQWKWBHWMNVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3,9,11H,4-7H2.
What are the key properties of 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one?
1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one has a molecular weight of 175.23 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[6.3.1.04,12]dodeca-5,7-dien-11-one is sourced from PubChem (CID 58709752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).