prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

C12H13N3O2 — CID 118992227

IUPACprop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(N)cccn12
InChIInChI=1S/C12H13N3O2/c1-3-7-17-12(16)10-8(2)14-11-9(13)5-4-6-15(10)11/h3-6H,1,7,13H2,2H3
InChIKeyLSACXCGDSKCFAS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.57
Rot. Bonds3

About prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate

prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 118992227) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID118992227
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameprop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(N)cccn12
InChIInChI=1S/C12H13N3O2/c1-3-7-17-12(16)10-8(2)14-11-9(13)5-4-6-15(10)11/h3-6H,1,7,13H2,2H3
InChIKeyLSACXCGDSKCFAS-UHFFFAOYSA-N
XLogP1.57
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 118992227) is prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate is C=CCOC(=O)c1c(C)nc2c(N)cccn12.
What is the InChIKey of prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is LSACXCGDSKCFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-3-7-17-12(16)10-8(2)14-11-9(13)5-4-6-15(10)11/h3-6H,1,7,13H2,2H3.
What are the key properties of prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate?
prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 8-amino-2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 118992227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).