6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)

C102H137N15O6S3 — CID 157252263

About 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)

6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene) (PubChem CID 157252263) has the molecular formula C102H137N15O6S3 and a molecular weight of 1765.52 g/mol. Its IUPAC name is 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene).

Molecular Properties

• Compound Name: 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)
• PubChem CID: 157252263
• Molecular Formula: C102H137N15O6S3
• Molecular Weight: 1765.52 g/mol
• Exact Mass: 1764.00
• IUPAC Name: 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)
• SMILES: CC1C2=C(CC=C2)C1C.CC1C2=C(OCO2)C1C.CC1c2cc[nH]c2C1C.CC1c2ccoc2C1C.CC1c2ccoc2C1C.CC1c2ccsc2C1C.CC1c2n[nH]nc2C1C.CC1c2n[nH]nc2C1C.CC1c2nc[nH]c2C1C.CC1c2nc[nH]c2C1C.CC1c2ncoc2C1C.CC1c2ncoc2C1C.CC1c2ncsc2C1C.CC1c2ncsc2C1C
• InChI: InChI=1S/C9H12.C8H11N.2C8H10O.C8H10S.2C7H10N2.2C7H9NO.2C7H9NS.C7H10O2.2C6H9N3/c1-6-7(2)9-5-3-4-8(6)9;4*1-5-6(2)8-7(5)3-4-9-8;7*1-4-5(2)7-6(4)8-3-9-7;2*1-3-4(2)6-5(3)7-9-8-6/h3-4,6-7H,5H2,1-2H3;3-6,9H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,8,9);4*3-5H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3,(H,7,8,9)
• InChIKey: AWMBFRRMGXPFRT-UHFFFAOYSA-N
• XLogP: 28.05
• TPSA: 278.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.52
LogP ≤ 5	28.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)?

The IUPAC name of 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene) (CID 157252263) is 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene).

What is the SMILES notation for 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)?

The canonical SMILES for 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene) is CC1C2=C(CC=C2)C1C.CC1C2=C(OCO2)C1C.CC1c2cc[nH]c2C1C.CC1c2ccoc2C1C.CC1c2ccoc2C1C.CC1c2ccsc2C1C.CC1c2n[nH]nc2C1C.CC1c2n[nH]nc2C1C.CC1c2nc[nH]c2C1C.CC1c2nc[nH]c2C1C.CC1c2ncoc2C1C.CC1c2ncoc2C1C.CC1c2ncsc2C1C.CC1c2ncsc2C1C.

What is the InChIKey of 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)?

The InChIKey is AWMBFRRMGXPFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H11N.2C8H10O.C8H10S.2C7H10N2.2C7H9NO.2C7H9NS.C7H10O2.2C6H9N3/c1-6-7(2)9-5-3-4-8(6)9;4*1-5-6(2)8-7(5)3-4-9-8;7*1-4-5(2)7-6(4)8-3-9-7;2*1-3-4(2)6-5(3)7-9-8-6/h3-4,6-7H,5H2,1-2H3;3-6,9H,1-2H3;3*3-6H,1-2H3;2*3-5H,1-2H3,(H,8,9);4*3-5H,1-2H3;4-5H,3H2,1-2H3;2*3-4H,1-2H3,(H,7,8,9).

What are the key properties of 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene)?

6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene) has a molecular weight of 1765.52 g/mol, XLogP of 28.05, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-2-azabicyclo[3.2.0]hepta-1(5),3-diene;6,7-dimethylbicyclo[3.2.0]hepta-1(5),2-diene;bis(6,7-dimethyl-2,4-diazabicyclo[3.2.0]hepta-1(5),2-diene);6,7-dimethyl-2,4-dioxabicyclo[3.2.0]hept-1(5)-ene;bis(6,7-dimethyl-2-oxa-4-azabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-oxabicyclo[3.2.0]hepta-1(5),3-diene);bis(6,7-dimethyl-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene);6,7-dimethyl-2-thiabicyclo[3.2.0]hepta-1(5),3-diene;bis(6,7-dimethyl-2,3,4-triazabicyclo[3.2.0]hepta-1,4-diene) is sourced from PubChem (CID 157252263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).