methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate

C6H10N2O2 — CID 68708922

IUPACmethyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(C)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-5(8-4)6(9)10-2/h5H,3H2,1-2H3,(H,7,8)
InChIKeyRJIASEUIUGKJFH-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.45
Rot. Bonds1

About methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate

methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate (PubChem CID 68708922) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate
PubChem CID68708922
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate
SMILESCOC(=O)C1CN=C(C)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-5(8-4)6(9)10-2/h5H,3H2,1-2H3,(H,7,8)
InChIKeyRJIASEUIUGKJFH-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 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate (CID 68708922) is methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate is COC(=O)C1CN=C(C)N1.
What is the InChIKey of methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate?
The InChIKey is RJIASEUIUGKJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-7-3-5(8-4)6(9)10-2/h5H,3H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate?
methyl 2-methyl-4,5-dihydro-1H-imidazole-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 2-methyl-4,5-dihydro-1H-imidazole-5-carboxylate is sourced from PubChem (CID 68708922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).