5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine

C9H16N2 — CID 22924365

IUPAC5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine
SMILESCCN1CCC2=C(CNC2)C1
InChIInChI=1S/C9H16N2/c1-2-11-4-3-8-5-10-6-9(8)7-11/h10H,2-7H2,1H3
InChIKeyOYWQHDXYDKDYPR-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.61
Rot. Bonds1

About 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine

5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine (PubChem CID 22924365) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine
PubChem CID22924365
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine
SMILESCCN1CCC2=C(CNC2)C1
InChIInChI=1S/C9H16N2/c1-2-11-4-3-8-5-10-6-9(8)7-11/h10H,2-7H2,1H3
InChIKeyOYWQHDXYDKDYPR-UHFFFAOYSA-N
XLogP0.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine (CID 22924365) is 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine is CCN1CCC2=C(CNC2)C1.
What is the InChIKey of 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine?
The InChIKey is OYWQHDXYDKDYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-11-4-3-8-5-10-6-9(8)7-11/h10H,2-7H2,1H3.
What are the key properties of 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine?
5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine has a molecular weight of 152.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 22924365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).