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

C6H10N2O2 — CID 53427560

IUPACmethyl 5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(C)CN=CN1
InChIInChI=1S/C6H10N2O2/c1-6(5(9)10-2)3-7-4-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyJVWZYVYKFWULDL-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.45
Rot. Bonds1

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

methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate (PubChem CID 53427560) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,4-dihydroimidazole-5-carboxylate
PubChem CID53427560
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethyl 5-methyl-1,4-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1(C)CN=CN1
InChIInChI=1S/C6H10N2O2/c1-6(5(9)10-2)3-7-4-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyJVWZYVYKFWULDL-UHFFFAOYSA-N
XLogP-0.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate (CID 53427560) is methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate is COC(=O)C1(C)CN=CN1.
What is the InChIKey of methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate?
The InChIKey is JVWZYVYKFWULDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-6(5(9)10-2)3-7-4-8-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate?
methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate has a molecular weight of 142.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,4-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 53427560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).