methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate

C9H12N2O2 — CID 178085008

IUPACmethyl 1-cyclopropyl-4-methylimidazole-2-carboxylate
SMILESCOC(=O)c1nc(C)cn1C1CC1
InChIInChI=1S/C9H12N2O2/c1-6-5-11(7-3-4-7)8(10-6)9(12)13-2/h5,7H,3-4H2,1-2H3
InChIKeyXQXCYXRYGCJLIH-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.31
Rot. Bonds2

About methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate

methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate (PubChem CID 178085008) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropyl-4-methylimidazole-2-carboxylate
PubChem CID178085008
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 1-cyclopropyl-4-methylimidazole-2-carboxylate
SMILESCOC(=O)c1nc(C)cn1C1CC1
InChIInChI=1S/C9H12N2O2/c1-6-5-11(7-3-4-7)8(10-6)9(12)13-2/h5,7H,3-4H2,1-2H3
InChIKeyXQXCYXRYGCJLIH-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-methyl-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571172
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424
tetramethyl 1-cyclopropylpyrrole-2,3,4,5-tetracarboxylate
CID 102592904
methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864520
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
2-(1-cyclopentyl-4-methylimidazol-2-yl)sulfanylacetic acid
CID 81337121
methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
CID 112617626
1-cyclobutyl-4-methylimidazol-2-amine
CID 103840674
methyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423873
2-methylpropyl 4-(2,4-dimethylimidazol-1-yl)piperidine-1-carboxylate
CID 142773337
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
methyl 3-cyclohexylimidazole-4-carboxylate
CID 14497626

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate?
The IUPAC name of methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate (CID 178085008) is methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate.
What is the SMILES notation for methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate?
The canonical SMILES for methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate is COC(=O)c1nc(C)cn1C1CC1.
What is the InChIKey of methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate?
The InChIKey is XQXCYXRYGCJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-11(7-3-4-7)8(10-6)9(12)13-2/h5,7H,3-4H2,1-2H3.
What are the key properties of methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate?
methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropyl-4-methylimidazole-2-carboxylate is sourced from PubChem (CID 178085008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).