methyl 3-ethenyl-2H-imidazole-1-carboxylate

C7H10N2O2 — CID 170944122

IUPACmethyl 3-ethenyl-2H-imidazole-1-carboxylate
SMILESC=CN1C=CN(C(=O)OC)C1
InChIInChI=1S/C7H10N2O2/c1-3-8-4-5-9(6-8)7(10)11-2/h3-5H,1,6H2,2H3
InChIKeyFDRZGZQSBRCIMP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.94
Rot. Bonds1

About methyl 3-ethenyl-2H-imidazole-1-carboxylate

methyl 3-ethenyl-2H-imidazole-1-carboxylate (PubChem CID 170944122) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 3-ethenyl-2H-imidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethenyl-2H-imidazole-1-carboxylate
PubChem CID170944122
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 3-ethenyl-2H-imidazole-1-carboxylate
SMILESC=CN1C=CN(C(=O)OC)C1
InChIInChI=1S/C7H10N2O2/c1-3-8-4-5-9(6-8)7(10)11-2/h3-5H,1,6H2,2H3
InChIKeyFDRZGZQSBRCIMP-UHFFFAOYSA-N
XLogP0.94
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-ethenyl-N-ethyl-2H-imidazol-1-amine;dihydrobromide
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methyl 5-methyl-2H-1,3-oxazole-3-carboxylate
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1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide
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5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
CID 174918742
1-ethenyl-3-ethyl-2H-imidazole;hydrobromide
CID 172862570
1-ethenyl-3-ethyl-2H-imidazole;hydroiodide
CID 173227414
1-ethenyl-3-pentyl-2H-imidazole
CID 69347119
methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53261133
methyl 3-chloro-2H-pyridine-1-carboxylate
CID 173300545
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethenyl-2H-imidazole-1-carboxylate?
The IUPAC name of methyl 3-ethenyl-2H-imidazole-1-carboxylate (CID 170944122) is methyl 3-ethenyl-2H-imidazole-1-carboxylate.
What is the SMILES notation for methyl 3-ethenyl-2H-imidazole-1-carboxylate?
The canonical SMILES for methyl 3-ethenyl-2H-imidazole-1-carboxylate is C=CN1C=CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethenyl-2H-imidazole-1-carboxylate?
The InChIKey is FDRZGZQSBRCIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-8-4-5-9(6-8)7(10)11-2/h3-5H,1,6H2,2H3.
What are the key properties of methyl 3-ethenyl-2H-imidazole-1-carboxylate?
methyl 3-ethenyl-2H-imidazole-1-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenyl-2H-imidazole-1-carboxylate is sourced from PubChem (CID 170944122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).