prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C12H17N3O2 — CID 70121073

IUPACprop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESC=CCOC(=O)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C12H17N3O2/c1-3-7-17-12(16)15-6-5-9-11(10(15)4-2)14-8-13-9/h3,8,10H,1,4-7H2,2H3,(H,13,14)
InChIKeyUJSFQUZZKWDKDV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.04
Rot. Bonds3

About prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 70121073) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID70121073
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameprop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESC=CCOC(=O)N1CCc2[nH]cnc2C1CC
InChIInChI=1S/C12H17N3O2/c1-3-7-17-12(16)15-6-5-9-11(10(15)4-2)14-8-13-9/h3,8,10H,1,4-7H2,2H3,(H,13,14)
InChIKeyUJSFQUZZKWDKDV-UHFFFAOYSA-N
XLogP2.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 70121073) is prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is C=CCOC(=O)N1CCc2[nH]cnc2C1CC.
What is the InChIKey of prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is UJSFQUZZKWDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-7-17-12(16)15-6-5-9-11(10(15)4-2)14-8-13-9/h3,8,10H,1,4-7H2,2H3,(H,13,14).
What are the key properties of prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-ethyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 70121073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).