methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate

C12H20N2O3 — CID 142754225

IUPACmethyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate
SMILESC=C(OCC)C1=CN(C(=O)OC)CN1C(C)C
InChIInChI=1S/C12H20N2O3/c1-6-17-10(4)11-7-13(12(15)16-5)8-14(11)9(2)3/h7,9H,4,6,8H2,1-3,5H3
InChIKeyIJGYLUPULABSRH-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.13
Rot. Bonds4

About methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate

methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate (PubChem CID 142754225) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate
PubChem CID142754225
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate
SMILESC=C(OCC)C1=CN(C(=O)OC)CN1C(C)C
InChIInChI=1S/C12H20N2O3/c1-6-17-10(4)11-7-13(12(15)16-5)8-14(11)9(2)3/h7,9H,4,6,8H2,1-3,5H3
InChIKeyIJGYLUPULABSRH-UHFFFAOYSA-N
XLogP2.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate?
The IUPAC name of methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate (CID 142754225) is methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate.
What is the SMILES notation for methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate?
The canonical SMILES for methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate is C=C(OCC)C1=CN(C(=O)OC)CN1C(C)C.
What is the InChIKey of methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate?
The InChIKey is IJGYLUPULABSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-17-10(4)11-7-13(12(15)16-5)8-14(11)9(2)3/h7,9H,4,6,8H2,1-3,5H3.
What are the key properties of methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate?
methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethoxyethenyl)-3-propan-2-yl-2H-imidazole-1-carboxylate is sourced from PubChem (CID 142754225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).