3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C12H15N3 — CID 70920057

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(C2CNc3ncccc32)CCNC1
InChIInChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-3,5,11,13H,4,6-8H2,(H,14,15)
InChIKeyYUHJHSAVUBOMBY-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.51
Rot. Bonds1

About 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70920057) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70920057
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESC1=C(C2CNc3ncccc32)CCNC1
InChIInChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-3,5,11,13H,4,6-8H2,(H,14,15)
InChIKeyYUHJHSAVUBOMBY-UHFFFAOYSA-N
XLogP1.51
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70920057) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is C1=C(C2CNc3ncccc32)CCNC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YUHJHSAVUBOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-10-11(8-15-12(10)14-5-1)9-3-6-13-7-4-9/h1-3,5,11,13H,4,6-8H2,(H,14,15).
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 201.27 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70920057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).