dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane

C10H16N2O4 — CID 143864925

IUPACdimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
SMILESCC.COC(=O)c1ncn(C)c1C(=O)OC
InChIInChI=1S/C8H10N2O4.C2H6/c1-10-4-9-5(7(11)13-2)6(10)8(12)14-3;1-2/h4H,1-3H3;1-2H3
InChIKeyGHIIBNASZHNTQN-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.02
Rot. Bonds2

About dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane

dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane (PubChem CID 143864925) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane.

Molecular Properties

Compound Namedimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
PubChem CID143864925
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namedimethyl 1-methylimidazole-4,5-dicarboxylate;ethane
SMILESCC.COC(=O)c1ncn(C)c1C(=O)OC
InChIInChI=1S/C8H10N2O4.C2H6/c1-10-4-9-5(7(11)13-2)6(10)8(12)14-3;1-2/h4H,1-3H3;1-2H3
InChIKeyGHIIBNASZHNTQN-UHFFFAOYSA-N
XLogP1.02
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methylazanium;methyl 5-hydroxy-1-methylimidazole-4-carboxylate
CID 160833833
1-O-tert-butyl 4-O,5-O-dimethyl imidazole-1,4,5-tricarboxylate
CID 58928819
ethane;1-methylimidazole-4,5-dicarbohydrazide
CID 143864935
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 5-amino-1-pent-3-ynylimidazole-4-carboxylate
CID 103546247
dimethyl 1-[4-(4-chlorophenoxy)phenyl]imidazole-4,5-dicarboxylate
CID 175044351
5-carbamothioyl-3-methylimidazole-4-carboxamide
CID 165354110
dimethyl 2-chloro-1-methylimidazole-4,5-dicarboxylate
CID 71279168
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587
methyl 5-amino-1-[3-(tert-butylamino)-3-oxopropyl]imidazole-4-carboxylate
CID 103546039
5-methoxycarbonyl-3-[(E)-2-phenylethenyl]imidazole-4-carboxylic acid
CID 5373361

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane?
The IUPAC name of dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane (CID 143864925) is dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane.
What is the SMILES notation for dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane?
The canonical SMILES for dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane is CC.COC(=O)c1ncn(C)c1C(=O)OC.
What is the InChIKey of dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane?
The InChIKey is GHIIBNASZHNTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4.C2H6/c1-10-4-9-5(7(11)13-2)6(10)8(12)14-3;1-2/h4H,1-3H3;1-2H3.
What are the key properties of dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane?
dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane has a molecular weight of 228.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methylimidazole-4,5-dicarboxylate;ethane is sourced from PubChem (CID 143864925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).