1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

C13H14N2O2 — CID 91572460

IUPAC1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n2c(c(O)n1-c1ccccc1)CCCC2
InChIInChI=1S/C13H14N2O2/c16-12-11-8-4-5-9-14(11)13(17)15(12)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2
InChIKeyGMHNHWFEUPWWLB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds1

About 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one

1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (PubChem CID 91572460) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
PubChem CID91572460
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
SMILESO=c1n2c(c(O)n1-c1ccccc1)CCCC2
InChIInChI=1S/C13H14N2O2/c16-12-11-8-4-5-9-14(11)13(17)15(12)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2
InChIKeyGMHNHWFEUPWWLB-UHFFFAOYSA-N
XLogP1.68
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The IUPAC name of 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one (CID 91572460) is 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is O=c1n2c(c(O)n1-c1ccccc1)CCCC2.
What is the InChIKey of 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
The InChIKey is GMHNHWFEUPWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-11-8-4-5-9-14(11)13(17)15(12)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2.
What are the key properties of 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one?
1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 91572460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).