1,8a-dihydroimidazo[1,5-a]pyridine;ethane

C11H20N2 — CID 90971508

IUPAC1,8a-dihydroimidazo[1,5-a]pyridine;ethane
SMILESC1=CC2CN=CN2C=C1.CC.CC
InChIInChI=1S/C7H8N2.2C2H6/c1-2-4-9-6-8-5-7(9)3-1;2*1-2/h1-4,6-7H,5H2;2*1-2H3
InChIKeyLKUALUKAQHYVAG-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.83
Rot. Bonds

About 1,8a-dihydroimidazo[1,5-a]pyridine;ethane

1,8a-dihydroimidazo[1,5-a]pyridine;ethane (PubChem CID 90971508) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1,8a-dihydroimidazo[1,5-a]pyridine;ethane.

Molecular Properties

Compound Name1,8a-dihydroimidazo[1,5-a]pyridine;ethane
PubChem CID90971508
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1,8a-dihydroimidazo[1,5-a]pyridine;ethane
SMILESC1=CC2CN=CN2C=C1.CC.CC
InChIInChI=1S/C7H8N2.2C2H6/c1-2-4-9-6-8-5-7(9)3-1;2*1-2/h1-4,6-7H,5H2;2*1-2H3
InChIKeyLKUALUKAQHYVAG-UHFFFAOYSA-N
XLogP2.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,8a-dihydroimidazo[1,5-a]pyridine;ethane?
The IUPAC name of 1,8a-dihydroimidazo[1,5-a]pyridine;ethane (CID 90971508) is 1,8a-dihydroimidazo[1,5-a]pyridine;ethane.
What is the SMILES notation for 1,8a-dihydroimidazo[1,5-a]pyridine;ethane?
The canonical SMILES for 1,8a-dihydroimidazo[1,5-a]pyridine;ethane is C1=CC2CN=CN2C=C1.CC.CC.
What is the InChIKey of 1,8a-dihydroimidazo[1,5-a]pyridine;ethane?
The InChIKey is LKUALUKAQHYVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.2C2H6/c1-2-4-9-6-8-5-7(9)3-1;2*1-2/h1-4,6-7H,5H2;2*1-2H3.
What are the key properties of 1,8a-dihydroimidazo[1,5-a]pyridine;ethane?
1,8a-dihydroimidazo[1,5-a]pyridine;ethane has a molecular weight of 180.29 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dihydroimidazo[1,5-a]pyridine;ethane is sourced from PubChem (CID 90971508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).