2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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

C21H42N6 — CID 69173071

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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
SMILESC1CC2CCNC2CN1.C1CC2CNCC2CN1.C1CC2NCCC2CN1
InChIInChI=1S/3C7H14N2/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-8-4-7-5-9-3-6(1)7/h3*6-9H,1-5H2
InChIKeyUBTNRUOMUPQUDS-UHFFFAOYSA-N
MW378.61 g/mol
LogP-0.27
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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

2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 (PubChem CID 69173071) has the molecular formula C21H42N6 and a molecular weight of 378.61 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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
PubChem CID69173071
Molecular FormulaC21H42N6
Molecular Weight378.61 g/mol
Exact Mass378.35
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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
SMILESC1CC2CCNC2CN1.C1CC2CNCC2CN1.C1CC2NCCC2CN1
InChIInChI=1S/3C7H14N2/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-8-4-7-5-9-3-6(1)7/h3*6-9H,1-5H2
InChIKeyUBTNRUOMUPQUDS-UHFFFAOYSA-N
XLogP-0.27
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 5-0.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 (CID 69173071) is 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 is C1CC2CCNC2CN1.C1CC2CNCC2CN1.C1CC2NCCC2CN1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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?
The InChIKey is UBTNRUOMUPQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14N2/c1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-8-4-7-5-9-3-6(1)7/h3*6-9H,1-5H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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?
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 has a molecular weight of 378.61 g/mol, XLogP of -0.27, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;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 is sourced from PubChem (CID 69173071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).