ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

C10H14N2O2 — CID 12745958

IUPACethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3
InChIKeyAAEXPDXMEFVCBC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.40
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 12745958) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID12745958
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)CCCC2
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3
InChIKeyAAEXPDXMEFVCBC-UHFFFAOYSA-N
XLogP1.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate (CID 12745958) is ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(n1)CCCC2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is AAEXPDXMEFVCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)8-7-12-6-4-3-5-9(12)11-8/h7H,2-6H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 12745958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).