ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

C11H16N2O2 — CID 19429294

IUPACethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cnc(C)c2C1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9-4-5-13-7-12-8(2)10(13)6-9/h7,9H,3-6H2,1-2H3
InChIKeyXUUBWIJYSXXMPD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.32
Rot. Bonds2

About ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 19429294) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID19429294
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)C1CCn2cnc(C)c2C1
InChIInChI=1S/C11H16N2O2/c1-3-15-11(14)9-4-5-13-7-12-8(2)10(13)6-9/h7,9H,3-6H2,1-2H3
InChIKeyXUUBWIJYSXXMPD-UHFFFAOYSA-N
XLogP1.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 19429294) is ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is CCOC(=O)C1CCn2cnc(C)c2C1.
What is the InChIKey of ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is XUUBWIJYSXXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-15-11(14)9-4-5-13-7-12-8(2)10(13)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 19429294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).