2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C12H11F3N2O — CID 167186790

IUPAC2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC=C(CC)n1cc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C12H11F3N2O/c1-3-8(2)17-7-10-9(12(13,14)15)5-4-6-16(10)11(17)18/h4-7H,2-3H2,1H3
InChIKeyFGMVSDZHJPCCIH-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.00
Rot. Bonds2

About 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 167186790) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID167186790
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESC=C(CC)n1cc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C12H11F3N2O/c1-3-8(2)17-7-10-9(12(13,14)15)5-4-6-16(10)11(17)18/h4-7H,2-3H2,1H3
InChIKeyFGMVSDZHJPCCIH-UHFFFAOYSA-N
XLogP3.00
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 167186790) is 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C=C(CC)n1cc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is FGMVSDZHJPCCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-3-8(2)17-7-10-9(12(13,14)15)5-4-6-16(10)11(17)18/h4-7H,2-3H2,1H3.
What are the key properties of 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 256.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 167186790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).