2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine

C12H14N2O — CID 76849458

IUPAC2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
SMILESCCOC/C=C/c1cn2ccccc2n1
InChIInChI=1S/C12H14N2O/c1-2-15-9-5-6-11-10-14-8-4-3-7-12(14)13-11/h3-8,10H,2,9H2,1H3/b6-5+
InChIKeyGHJUQRGMJBMTJQ-AATRIKPKSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds4

About 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine

2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine (PubChem CID 76849458) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
PubChem CID76849458
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
SMILESCCOC/C=C/c1cn2ccccc2n1
InChIInChI=1S/C12H14N2O/c1-2-15-9-5-6-11-10-14-8-4-3-7-12(14)13-11/h3-8,10H,2,9H2,1H3/b6-5+
InChIKeyGHJUQRGMJBMTJQ-AATRIKPKSA-N
XLogP2.38
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine (CID 76849458) is 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine is CCOC/C=C/c1cn2ccccc2n1.
What is the InChIKey of 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine?
The InChIKey is GHJUQRGMJBMTJQ-AATRIKPKSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-15-9-5-6-11-10-14-8-4-3-7-12(14)13-11/h3-8,10H,2,9H2,1H3/b6-5+.
What are the key properties of 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine?
2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine has a molecular weight of 202.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 76849458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).