methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate

C8H10N2O2 — CID 138573207

IUPACmethyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate
SMILESC=c1[nH]c(C(=O)OC)n/c1=C/C
InChIInChI=1S/C8H10N2O2/c1-4-6-5(2)9-7(10-6)8(11)12-3/h4H,2H2,1,3H3,(H,9,10)/b6-4+
InChIKeyVMRIFEGHIFHGPO-GQCTYLIASA-N
MW166.18 g/mol
LogP-0.59
Rot. Bonds1

About methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate

methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate (PubChem CID 138573207) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate
PubChem CID138573207
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate
SMILESC=c1[nH]c(C(=O)OC)n/c1=C/C
InChIInChI=1S/C8H10N2O2/c1-4-6-5(2)9-7(10-6)8(11)12-3/h4H,2H2,1,3H3,(H,9,10)/b6-4+
InChIKeyVMRIFEGHIFHGPO-GQCTYLIASA-N
XLogP-0.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-bromo-3H-imidazo[4,5-c]pyridine-2-carboxylate
CID 24903738
methyl 4-sulfanyl-1H-benzimidazole-2-carboxylate
CID 130956320
methyl 5-cyano-1H-imidazole-2-carboxylate
CID 55253764
methyl 6-(methoxymethyl)-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106477619
methyl 4-hydroxy-5-(4-methylphenyl)-6-oxo-1H-pyrimidine-2-carboxylate
CID 79436249
methyl 5-bromo-6-methyl-1H-benzimidazole-2-carboxylate
CID 131099091
ethane;methyl (4Z,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrole-2-carboxylate
CID 145311762
methyl 5-(dimethylamino)-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 112616531
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
methyl 4-propan-2-yl-1H-benzimidazole-2-carboxylate
CID 135165634
methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
methyl 6-(bromomethyl)-1H-benzimidazole-2-carboxylate
CID 131563579

Frequently Asked Questions

What is the IUPAC name of methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate?
The IUPAC name of methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate (CID 138573207) is methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate.
What is the SMILES notation for methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate?
The canonical SMILES for methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate is C=c1[nH]c(C(=O)OC)n/c1=C/C.
What is the InChIKey of methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate?
The InChIKey is VMRIFEGHIFHGPO-GQCTYLIASA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-6-5(2)9-7(10-6)8(11)12-3/h4H,2H2,1,3H3,(H,9,10)/b6-4+.
What are the key properties of methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate?
methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate has a molecular weight of 166.18 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-4-ethylidene-5-methylidene-1H-imidazole-2-carboxylate is sourced from PubChem (CID 138573207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).