10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C16H22N2O2 — CID 11250167

IUPAC10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3oc(=O)n(c23)C1
InChIInChI=1S/C16H22N2O2/c1-3-8-17(9-4-2)13-10-12-6-5-7-14-15(12)18(11-13)16(19)20-14/h5-7,13H,3-4,8-11H2,1-2H3
InChIKeyHOEALUALDFMXND-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.64
Rot. Bonds5

About 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 11250167) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID11250167
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESCCCN(CCC)C1Cc2cccc3oc(=O)n(c23)C1
InChIInChI=1S/C16H22N2O2/c1-3-8-17(9-4-2)13-10-12-6-5-7-14-15(12)18(11-13)16(19)20-14/h5-7,13H,3-4,8-11H2,1-2H3
InChIKeyHOEALUALDFMXND-UHFFFAOYSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 11250167) is 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is CCCN(CCC)C1Cc2cccc3oc(=O)n(c23)C1.
What is the InChIKey of 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is HOEALUALDFMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-8-17(9-4-2)13-10-12-6-5-7-14-15(12)18(11-13)16(19)20-14/h5-7,13H,3-4,8-11H2,1-2H3.
What are the key properties of 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dipropylamino)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 11250167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).