2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane

C52H103N13 — CID 157086921

About 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane (PubChem CID 157086921) has the molecular formula C52H103N13 and a molecular weight of 910.49 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane
• PubChem CID: 157086921
• Molecular Formula: C52H103N13
• Molecular Weight: 910.49 g/mol
• Exact Mass: 909.85
• IUPAC Name: 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane
• SMILES: C1CC2(CCN1)CCNC2.C1CC2CNCC2CN1.C1CC2CNCC2N1.C1CC2NCCC2CN1.C1CNC2(C1)CCNCC2.C1NC[C@@H]2NCC12.CC(C)(C)C1CC2CCC(C1)N2
• InChI: InChI=1S/C11H21N.2C8H16N2.2C7H14N2.C6H12N2.C5H10N2/c1-11(2,3)8-6-9-4-5-10(7-8)12-9;1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(10-5-1)3-6-9-7-4-8;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7;1-2-8-6-4-7-3-5(1)6;1-4-2-7-5(4)3-6-1/h8-10,12H,4-7H2,1-3H3;2*9-10H,1-7H2;2*6-9H,1-5H2;5-8H,1-4H2;4-7H,1-3H2/t;;;;;;4?,5-/m......0/s1
• InChIKey: AEESHUVLBPSBED-ATXBHTAXSA-N
• XLogP: 1.92
• TPSA: 156.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.49
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane?

The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane (CID 157086921) is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane?

The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane is C1CC2(CCN1)CCNC2.C1CC2CNCC2CN1.C1CC2CNCC2N1.C1CC2NCCC2CN1.C1CNC2(C1)CCNCC2.C1NC[C@@H]2NCC12.CC(C)(C)C1CC2CCC(C1)N2.

What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane?

The InChIKey is AEESHUVLBPSBED-ATXBHTAXSA-N. The full InChI is InChI=1S/C11H21N.2C8H16N2.2C7H14N2.C6H12N2.C5H10N2/c1-11(2,3)8-6-9-4-5-10(7-8)12-9;1-4-9-5-2-8(1)3-6-10-7-8;1-2-8(10-5-1)3-6-9-7-4-8;1-4-9-7-2-3-8-5-6(1)7;1-2-8-4-7-5-9-3-6(1)7;1-2-8-6-4-7-3-5(1)6;1-4-2-7-5(4)3-6-1/h8-10,12H,4-7H2,1-3H3;2*9-10H,1-7H2;2*6-9H,1-5H2;5-8H,1-4H2;4-7H,1-3H2/t;;;;;;4?,5-/m......0/s1.

What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane?

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane has a molecular weight of 910.49 g/mol, XLogP of 1.92, 0 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]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[2,3-c]pyrrole;3-tert-butyl-8-azabicyclo[3.2.1]octane;(5R)-3,6-diazabicyclo[3.2.0]heptane;1,8-diazaspiro[4.5]decane;2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 157086921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).