methyl 2-cyclopropyl-1H-imidazole-5-carboxylate

C8H10N2O2 — CID 62250625

IUPACmethyl 2-cyclopropyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-7(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeySGLGHHLKCJNINF-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-cyclopropyl-1H-imidazole-5-carboxylate

methyl 2-cyclopropyl-1H-imidazole-5-carboxylate (PubChem CID 62250625) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 2-cyclopropyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-1H-imidazole-5-carboxylate
PubChem CID62250625
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Namemethyl 2-cyclopropyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2)[nH]1
InChIInChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-7(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeySGLGHHLKCJNINF-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-1H-imidazole-5-carboxylate (CID 62250625) is methyl 2-cyclopropyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-1H-imidazole-5-carboxylate is COC(=O)c1cnc(C2CC2)[nH]1.
What is the InChIKey of methyl 2-cyclopropyl-1H-imidazole-5-carboxylate?
The InChIKey is SGLGHHLKCJNINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-8(11)6-4-9-7(10-6)5-2-3-5/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of methyl 2-cyclopropyl-1H-imidazole-5-carboxylate?
methyl 2-cyclopropyl-1H-imidazole-5-carboxylate has a molecular weight of 166.18 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 62250625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).