1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane

C156H322N10O3 — CID 167539909

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane (PubChem CID 167539909) has the molecular formula C156H322N10O3 and a molecular weight of 2386.36 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane.

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane
• PubChem CID: 167539909
• Molecular Formula: C156H322N10O3
• Molecular Weight: 2386.36 g/mol
• Exact Mass: 2384.54
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane
• SMILES: C1CC2(C1)CCC2.C1CC2(C1)CCNC2.C1CC2(C1)CNCCO2.C1CC2CC1CN2.C1CC2CCC(C1)C2.C1CC2CCC1CN2.C1CC2CNCC1C2.C1CC2CNCC2C1.C1CC2COCC(C1)N2.C1CCC2(C1)CNC2.C1CCC2(CC1)CCC2.C1CCC2CC2C1.C1COC2(C1)CCNCC2.C1NCC2CC1C2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C
• InChI: InChI=1S/C9H16.C8H15NO.C8H14.2C7H13NO.5C7H13N.2C7H12.2C6H11N.14C4H10/c1-2-5-9(6-3-1)7-4-8-9;1-2-8(10-7-1)3-5-9-6-4-8;1-2-7-4-5-8(3-1)6-7;1-2-6-4-9-5-7(3-1)8-6;1-2-7(3-1)6-8-4-5-9-7;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-8-5-7(6)3-1;1-2-7(3-1)4-5-8-6-7;1-2-4-7(3-1)5-8-6-7;1-3-7(4-1)5-2-6-7;1-2-4-7-5-6(7)3-1;1-5-2-6(1)4-7-3-5;1-2-6-3-5(1)4-7-6;14*1-4(2)3/h1-8H2;9H,1-7H2;7-8H,1-6H2;6-8H,1-5H2;8H,1-6H2;3*6-8H,1-5H2;2*8H,1-6H2;1-6H2;6-7H,1-5H2;2*5-7H,1-4H2;14*4H,1-3H3
• InChIKey: BAUTZQLAMGNDBX-UHFFFAOYSA-N
• XLogP: 42.33
• TPSA: 147.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 13
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2386.36
LogP ≤ 5	42.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane?

The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane (CID 167539909) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane.

What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane?

The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane is C1CC2(C1)CCC2.C1CC2(C1)CCNC2.C1CC2(C1)CNCCO2.C1CC2CC1CN2.C1CC2CCC(C1)C2.C1CC2CCC1CN2.C1CC2CNCC1C2.C1CC2CNCC2C1.C1CC2COCC(C1)N2.C1CCC2(C1)CNC2.C1CCC2(CC1)CCC2.C1CCC2CC2C1.C1COC2(C1)CCNCC2.C1NCC2CC1C2.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.

What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane?

The InChIKey is BAUTZQLAMGNDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H15NO.C8H14.2C7H13NO.5C7H13N.2C7H12.2C6H11N.14C4H10/c1-2-5-9(6-3-1)7-4-8-9;1-2-8(10-7-1)3-5-9-6-4-8;1-2-7-4-5-8(3-1)6-7;1-2-6-4-9-5-7(3-1)8-6;1-2-7(3-1)6-8-4-5-9-7;1-3-7-4-2-6(1)5-8-7;1-2-7-3-6(1)4-8-5-7;1-2-6-4-8-5-7(6)3-1;1-2-7(3-1)4-5-8-6-7;1-2-4-7(3-1)5-8-6-7;1-3-7(4-1)5-2-6-7;1-2-4-7-5-6(7)3-1;1-5-2-6(1)4-7-3-5;1-2-6-3-5(1)4-7-6;14*1-4(2)3/h1-8H2;9H,1-7H2;7-8H,1-6H2;6-8H,1-5H2;8H,1-6H2;3*6-8H,1-5H2;2*8H,1-6H2;1-6H2;6-7H,1-5H2;2*5-7H,1-4H2;14*4H,1-3H3.

What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane?

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane has a molecular weight of 2386.36 g/mol, XLogP of 42.33, 0 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-azabicyclo[2.2.1]heptane;3-azabicyclo[3.1.1]heptane;2-azabicyclo[2.2.2]octane;3-azabicyclo[3.2.1]octane;2-azaspiro[3.4]octane;6-azaspiro[3.4]octane;bicyclo[4.1.0]heptane;bicyclo[3.2.1]octane;tetradecakis(2-methylpropane);3-oxa-9-azabicyclo[3.3.1]nonane;1-oxa-8-azaspiro[4.5]decane;5-oxa-8-azaspiro[3.5]nonane;spiro[3.3]heptane;spiro[3.5]nonane is sourced from PubChem (CID 167539909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).