2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione

C15H19NO2 — CID 59850860

IUPAC2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione
SMILESCCCN1C(=O)C2=C(C1=O)C1(C)C(C)=C(C)C21C
InChIInChI=1S/C15H19NO2/c1-6-7-16-12(17)10-11(13(16)18)15(5)9(3)8(2)14(10,15)4/h6-7H2,1-5H3
InChIKeyILICKLOJKSJXCY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.44
Rot. Bonds2

About 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione

2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione (PubChem CID 59850860) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione
PubChem CID59850860
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione
SMILESCCCN1C(=O)C2=C(C1=O)C1(C)C(C)=C(C)C21C
InChIInChI=1S/C15H19NO2/c1-6-7-16-12(17)10-11(13(16)18)15(5)9(3)8(2)14(10,15)4/h6-7H2,1-5H3
InChIKeyILICKLOJKSJXCY-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione?
The IUPAC name of 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione (CID 59850860) is 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione.
What is the SMILES notation for 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione?
The canonical SMILES for 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione is CCCN1C(=O)C2=C(C1=O)C1(C)C(C)=C(C)C21C.
What is the InChIKey of 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione?
The InChIKey is ILICKLOJKSJXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-6-7-16-12(17)10-11(13(16)18)15(5)9(3)8(2)14(10,15)4/h6-7H2,1-5H3.
What are the key properties of 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione?
2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione has a molecular weight of 245.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-8-propyl-8-azatricyclo[4.3.0.02,5]nona-1(6),3-diene-7,9-dione is sourced from PubChem (CID 59850860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).