1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane

C40H79N11 — CID 157262013

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane (PubChem CID 157262013) has the molecular formula C40H79N11 and a molecular weight of 714.15 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane.

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane
• PubChem CID: 157262013
• Molecular Formula: C40H79N11
• Molecular Weight: 714.15 g/mol
• Exact Mass: 713.65
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane
• SMILES: C1CC2CNCC2C1.C1CC2CNCC2CN1.C1CC2CNCCN2C1.C1CNC2CCC2N1.C1CNC2CNCC2C1.C1NCC2CNCC12
• InChI: InChI=1S/3C7H14N2.C7H13N.2C6H12N2/c1-2-8-4-7-5-9-3-6(1)7;1-2-7-6-8-3-5-9(7)4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-6-4-8-5-7(6)3-1;1-5-2-8-4-6(5)3-7-1;1-2-6-5(1)7-3-4-8-6/h6-9H,1-5H2;7-8H,1-6H2;6-9H,1-5H2;6-8H,1-5H2;2*5-8H,1-4H2
• InChIKey: AXOLQOQZWPKHGR-UHFFFAOYSA-N
• XLogP: -0.03
• TPSA: 123.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	714.15
LogP ≤ 5	-0.03
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane?

The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane (CID 157262013) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane.

What is the SMILES notation for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane?

The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane is C1CC2CNCC2C1.C1CC2CNCC2CN1.C1CC2CNCCN2C1.C1CNC2CCC2N1.C1CNC2CNCC2C1.C1NCC2CNCC12.

What is the InChIKey of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane?

The InChIKey is AXOLQOQZWPKHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14N2.C7H13N.2C6H12N2/c1-2-8-4-7-5-9-3-6(1)7;1-2-7-6-8-3-5-9(7)4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-6-4-8-5-7(6)3-1;1-5-2-8-4-6(5)3-7-1;1-2-6-5(1)7-3-4-8-6/h6-9H,1-5H2;7-8H,1-6H2;6-9H,1-5H2;6-8H,1-5H2;2*5-8H,1-4H2.

What are the key properties of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane?

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane has a molecular weight of 714.15 g/mol, XLogP of -0.03, 0 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine;1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;2,5-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 157262013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).