methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate

C7H12N2O2 — CID 141181512

IUPACmethyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCN1C=NC(C(=O)OC)C1
InChIInChI=1S/C7H12N2O2/c1-3-9-4-6(8-5-9)7(10)11-2/h5-6H,3-4H2,1-2H3
InChIKeyXKRABUXOMLYEFG-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.11
Rot. Bonds2

About methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate

methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate (PubChem CID 141181512) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate
PubChem CID141181512
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Namemethyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate
SMILESCCN1C=NC(C(=O)OC)C1
InChIInChI=1S/C7H12N2O2/c1-3-9-4-6(8-5-9)7(10)11-2/h5-6H,3-4H2,1-2H3
InChIKeyXKRABUXOMLYEFG-UHFFFAOYSA-N
XLogP-0.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methyl-4,5-dihydroimidazole-4-carboxylate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate?
The IUPAC name of methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate (CID 141181512) is methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate is CCN1C=NC(C(=O)OC)C1.
What is the InChIKey of methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate?
The InChIKey is XKRABUXOMLYEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-4-6(8-5-9)7(10)11-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate?
methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate has a molecular weight of 156.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-4,5-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 141181512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).