2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene

C185H313N13O5 — CID 158874294

About 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene

2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene (PubChem CID 158874294) has the molecular formula C185H313N13O5 and a molecular weight of 2799.62 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene
• PubChem CID: 158874294
• Molecular Formula: C185H313N13O5
• Molecular Weight: 2799.62 g/mol
• Exact Mass: 2797.46
• IUPAC Name: 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene
• SMILES: C1=CC2(CC1)CCC2.C1=CC2(CC1)COC2.C1=CC2(CCC1)CCC2.C1=CC2CCCC1N2.C1=CCC2(C1)CCCCC2.C1=CCC2(C1)CCNC2.C1CC2CC(C1)C2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CO2.C1CC2CCC1N2.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1
• InChI: InChI=1S/C11H13N.C10H16.C9H14.C8H13N.C8H14.C8H12.2C8H14.7C7H13N.C7H11N.2C7H12O.C7H10O.2C7H12.C6H11NO.2C6H11N.C6H10O/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;1-2-6-10(7-3-1)8-4-5-9-10;1-2-5-9(6-3-1)7-4-8-9;1-2-4-8(3-1)5-6-9-7-8;1-2-8-5-3-7(1)4-6-8;1-2-5-8(4-1)6-3-7-8;2*1-2-7-4-5-8(3-1)6-7;1-2-7-5-6(1)3-4-8-7;1-2-7-3-5-8(4-1)6-7;1-2-6-4-7(3-1)8-5-6;5*1-2-6-4-5-7(3-1)8-6;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-4-7(3-1)5-8-6-7;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-7-3-4-8-6(1)5-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-2-6-3-5(1)4-7-6/h1-4,8,11-12H,5-7H2;4-5H,1-3,6-9H2;2,5H,1,3-4,6-8H2;1-2,9H,3-7H2;7-8H,1-6H2;1,4H,2-3,5-7H2;2*7-8H,1-6H2;6-8H,1-5H2;7H,1-6H2;5*6-8H,1-5H2;4-8H,1-3H2;2*6-7H,1-5H2;1,3H,2,4-6H2;2*6-7H,1-5H2;6H,1-5H2;2*5-7H,1-4H2;5-6H,1-4H2
• InChIKey: JCFYPBHDXNIYTR-UHFFFAOYSA-N
• XLogP: 41.58
• TPSA: 184.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2799.62
LogP ≤ 5	41.58
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene?

The IUPAC name of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene (CID 158874294) is 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene.

What is the SMILES notation for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene?

The canonical SMILES for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene is C1=CC2(CC1)CCC2.C1=CC2(CC1)COC2.C1=CC2(CCC1)CCC2.C1=CC2CCCC1N2.C1=CCC2(C1)CCCCC2.C1=CCC2(C1)CCNC2.C1CC2CC(C1)C2.C1CC2CC1CN2.C1CC2CC1CO2.C1CC2CCC(C1)C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)N2.C1CC2CCC(C1)O2.C1CC2CCC(C2)N1.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CO2.C1CC2CCC1N2.C1CC2CCN(C1)C2.C1CC2CNC(C1)C2.C1CN2CCC(C2)O1.c1ccc2c(c1)C1CCC2NC1.

What is the InChIKey of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene?

The InChIKey is JCFYPBHDXNIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H16.C9H14.C8H13N.C8H14.C8H12.2C8H14.7C7H13N.C7H11N.2C7H12O.C7H10O.2C7H12.C6H11NO.2C6H11N.C6H10O/c1-2-4-10-9(3-1)8-5-6-11(10)12-7-8;1-2-6-10(7-3-1)8-4-5-9-10;1-2-5-9(6-3-1)7-4-8-9;1-2-4-8(3-1)5-6-9-7-8;1-2-8-5-3-7(1)4-6-8;1-2-5-8(4-1)6-3-7-8;2*1-2-7-4-5-8(3-1)6-7;1-2-7-5-6(1)3-4-8-7;1-2-7-3-5-8(4-1)6-7;1-2-6-4-7(3-1)8-5-6;5*1-2-6-4-5-7(3-1)8-6;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-4-7(3-1)5-8-6-7;1-2-7-4-3-6(1)5-7;1-2-6-4-7(3-1)5-6;1-2-7-3-4-8-6(1)5-7;1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6;1-2-6-3-5(1)4-7-6/h1-4,8,11-12H,5-7H2;4-5H,1-3,6-9H2;2,5H,1,3-4,6-8H2;1-2,9H,3-7H2;7-8H,1-6H2;1,4H,2-3,5-7H2;2*7-8H,1-6H2;6-8H,1-5H2;7H,1-6H2;5*6-8H,1-5H2;4-8H,1-3H2;2*6-7H,1-5H2;1,3H,2,4-6H2;2*6-7H,1-5H2;6H,1-5H2;2*5-7H,1-4H2;5-6H,1-4H2.

What are the key properties of 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene?

2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene has a molecular weight of 2799.62 g/mol, XLogP of 41.58, 0 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;1-azabicyclo[3.2.1]octane;2-azabicyclo[3.2.1]octane;6-azabicyclo[3.2.1]octane;tetrakis(8-azabicyclo[3.2.1]octane);8-azabicyclo[3.2.1]oct-6-ene;2-azaspiro[4.4]non-7-ene;9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);4-oxa-1-azabicyclo[3.2.1]octane;2-oxabicyclo[2.2.1]heptane;2-oxabicyclo[2.2.2]octane;8-oxabicyclo[3.2.1]octane;2-oxaspiro[3.4]oct-5-ene;spiro[4.5]dec-2-ene;spiro[3.5]non-8-ene;spiro[3.4]oct-7-ene is sourced from PubChem (CID 158874294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).