dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate

C8H12N2O4 — CID 58801108

IUPACdimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate
SMILESCOC(=O)C1N=C(C)NC1C(=O)OC
InChIInChI=1S/C8H12N2O4/c1-4-9-5(7(11)13-2)6(10-4)8(12)14-3/h5-6H,1-3H3,(H,9,10)
InChIKeyYNYYPSWGQQEICG-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.91
Rot. Bonds2

About dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate

dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate (PubChem CID 58801108) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate
PubChem CID58801108
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Namedimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate
SMILESCOC(=O)C1N=C(C)NC1C(=O)OC
InChIInChI=1S/C8H12N2O4/c1-4-9-5(7(11)13-2)6(10-4)8(12)14-3/h5-6H,1-3H3,(H,9,10)
InChIKeyYNYYPSWGQQEICG-UHFFFAOYSA-N
XLogP-0.91
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate (CID 58801108) is dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate is COC(=O)C1N=C(C)NC1C(=O)OC.
What is the InChIKey of dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate?
The InChIKey is YNYYPSWGQQEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4-9-5(7(11)13-2)6(10-4)8(12)14-3/h5-6H,1-3H3,(H,9,10).
What are the key properties of dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate?
dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methyl-4,5-dihydro-1H-imidazole-4,5-dicarboxylate is sourced from PubChem (CID 58801108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).