1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)

C68H62N10O6 — CID 159191444

About 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)

1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) (PubChem CID 159191444) has the molecular formula C68H62N10O6 and a molecular weight of 1115.31 g/mol. Its IUPAC name is 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene).

Molecular Properties

• Compound Name: 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)
• PubChem CID: 159191444
• Molecular Formula: C68H62N10O6
• Molecular Weight: 1115.31 g/mol
• Exact Mass: 1114.49
• IUPAC Name: 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)
• SMILES: Cc1oc2c(cn3ccccc23)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2cn3ccccc3c2c1C.Cc1oc2nc3ccccn3c2c1C.Cc1oc2nc3ccccn3c2c1C
• InChI: InChI=1S/2C12H11NO.4C11H10N2O/c1-8-9(2)14-12-10(8)7-13-6-4-3-5-11(12)13;1-8-9(2)14-11-7-13-6-4-3-5-10(13)12(8)11;2*1-7-8(2)14-11-10(7)13-6-4-3-5-9(13)12-11;2*1-7-8(2)14-11-10(7)12-9-5-3-4-6-13(9)11/h2*3-7H,1-2H3;4*3-6H,1-2H3
• InChIKey: KODDZYQTFQEFAV-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 156.86 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.31
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The IUPAC name of 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) (CID 159191444) is 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene).

What is the SMILES notation for 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The canonical SMILES for 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) is Cc1oc2c(cn3ccccc23)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2c(nc3ccccn32)c1C.Cc1oc2cn3ccccc3c2c1C.Cc1oc2nc3ccccn3c2c1C.Cc1oc2nc3ccccn3c2c1C.

What is the InChIKey of 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

The InChIKey is KODDZYQTFQEFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11NO.4C11H10N2O/c1-8-9(2)14-12-10(8)7-13-6-4-3-5-11(12)13;1-8-9(2)14-11-7-13-6-4-3-5-10(13)12(8)11;2*1-7-8(2)14-11-10(7)13-6-4-3-5-9(13)12-11;2*1-7-8(2)14-11-10(7)12-9-5-3-4-6-13(9)11/h2*3-7H,1-2H3;4*3-6H,1-2H3.

What are the key properties of 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene)?

1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) has a molecular weight of 1115.31 g/mol, XLogP of 17.39, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylfuro[3,2-a]indolizine;2,3-dimethylfuro[2,3-a]indolizine;bis(3,4-dimethyl-5-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaene);bis(4,5-dimethyl-3-oxa-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene) is sourced from PubChem (CID 159191444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).