11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

C18H24N2O — CID 15744989

IUPAC11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESCCCN(CCC)C1Cc2cccc3ccc(=O)n(c23)C1
InChIInChI=1S/C18H24N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyTZJYXVGLMBIOAB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.05
Rot. Bonds5

About 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one

11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (PubChem CID 15744989) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.

Molecular Properties

Compound Name11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
PubChem CID15744989
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one
SMILESCCCN(CCC)C1Cc2cccc3ccc(=O)n(c23)C1
InChIInChI=1S/C18H24N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-9,16H,3-4,10-13H2,1-2H3
InChIKeyTZJYXVGLMBIOAB-UHFFFAOYSA-N
XLogP3.05
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The IUPAC name of 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one (CID 15744989) is 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one.
What is the SMILES notation for 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The canonical SMILES for 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is CCCN(CCC)C1Cc2cccc3ccc(=O)n(c23)C1.
What is the InChIKey of 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
The InChIKey is TZJYXVGLMBIOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-10-19(11-4-2)16-12-15-7-5-6-14-8-9-17(21)20(13-16)18(14)15/h5-9,16H,3-4,10-13H2,1-2H3.
What are the key properties of 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one?
11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(dipropylamino)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one is sourced from PubChem (CID 15744989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).