10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

C17H22N2O2 — CID 15744985

IUPAC10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3=O
InChIInChI=1S/C17H22N2O2/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)17(21)16(14)20/h5-7,13H,3-4,8-11H2,1-2H3
InChIKeySWGUTEFASJTIMS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds5

About 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione

10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (PubChem CID 15744985) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.

Molecular Properties

Compound Name10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
PubChem CID15744985
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione
SMILESCCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3=O
InChIInChI=1S/C17H22N2O2/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)17(21)16(14)20/h5-7,13H,3-4,8-11H2,1-2H3
InChIKeySWGUTEFASJTIMS-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The IUPAC name of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione (CID 15744985) is 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione.
What is the SMILES notation for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The canonical SMILES for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is CCCN(CCC)C1Cc2cccc3c2N(C1)C(=O)C3=O.
What is the InChIKey of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
The InChIKey is SWGUTEFASJTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)17(21)16(14)20/h5-7,13H,3-4,8-11H2,1-2H3.
What are the key properties of 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione?
10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione has a molecular weight of 286.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dipropylamino)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-2,3-dione is sourced from PubChem (CID 15744985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).