4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole

C78H102N6 — CID 160582577

About 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole

4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole (PubChem CID 160582577) has the molecular formula C78H102N6 and a molecular weight of 1123.72 g/mol. Its IUPAC name is 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole.

Molecular Properties

• Compound Name: 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole
• PubChem CID: 160582577
• Molecular Formula: C78H102N6
• Molecular Weight: 1123.72 g/mol
• Exact Mass: 1122.82
• IUPAC Name: 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole
• SMILES: CN1CCc2c1ccc1c2C(C)(C)C1.CN1CCc2c1ccc1c2CC1(C)C.CN1CCc2cc3c(cc21)C(C)(C)C3.CN1CCc2cc3c(cc21)CC3(C)C.CN1CCc2ccc3c(c21)C(C)(C)C3.CN1CCc2ccc3c(c21)CC3(C)C
• InChI: InChI=1S/6C13H17N/c1-13(2)8-10-7-12-9(6-11(10)13)4-5-14(12)3;1-13(2)8-10-6-9-4-5-14(3)12(9)7-11(10)13;1-13(2)8-10-9-6-7-14(3)12(9)5-4-11(10)13;1-13(2)8-9-4-5-11-10(12(9)13)6-7-14(11)3;1-13(2)8-10-11(13)5-4-9-6-7-14(3)12(9)10;1-13(2)8-10-5-4-9-6-7-14(3)12(9)11(10)13/h2*6-7H,4-5,8H2,1-3H3;4*4-5H,6-8H2,1-3H3
• InChIKey: RBYZXGFBEVCWLN-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.72
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole?

The IUPAC name of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole (CID 160582577) is 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole.

What is the SMILES notation for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole?

The canonical SMILES for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole is CN1CCc2c1ccc1c2C(C)(C)C1.CN1CCc2c1ccc1c2CC1(C)C.CN1CCc2cc3c(cc21)C(C)(C)C3.CN1CCc2cc3c(cc21)CC3(C)C.CN1CCc2ccc3c(c21)C(C)(C)C3.CN1CCc2ccc3c(c21)CC3(C)C.

What is the InChIKey of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole?

The InChIKey is RBYZXGFBEVCWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H17N/c1-13(2)8-10-7-12-9(6-11(10)13)4-5-14(12)3;1-13(2)8-10-6-9-4-5-14(3)12(9)7-11(10)13;1-13(2)8-10-9-6-7-14(3)12(9)5-4-11(10)13;1-13(2)8-9-4-5-11-10(12(9)13)6-7-14(11)3;1-13(2)8-10-11(13)5-4-9-6-7-14(3)12(9)10;1-13(2)8-10-5-4-9-6-7-14(3)12(9)11(10)13/h2*6-7H,4-5,8H2,1-3H3;4*4-5H,6-8H2,1-3H3.

What are the key properties of 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole?

4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole has a molecular weight of 1123.72 g/mol, XLogP of 15.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole is sourced from PubChem (CID 160582577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).