3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile

C8H7N3 — CID 91248196

IUPAC3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#CC1=CN2CC=NC2C=C1
InChIInChI=1S/C8H7N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-3,6,8H,4H2
InChIKeyJJKTUJOIOZBQOD-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.68
Rot. Bonds

About 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile

3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 91248196) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID91248196
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#CC1=CN2CC=NC2C=C1
InChIInChI=1S/C8H7N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-3,6,8H,4H2
InChIKeyJJKTUJOIOZBQOD-UHFFFAOYSA-N
XLogP0.68
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile (CID 91248196) is 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile is N#CC1=CN2CC=NC2C=C1.
What is the InChIKey of 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is JJKTUJOIOZBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-3,6,8H,4H2.
What are the key properties of 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile?
3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 145.16 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8a-dihydroimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 91248196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).