trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate

C10H14N2O2 — CID 135377626

IUPACtrans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1nccn1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyMYJBWYWTJVMBKL-HTQZYQBOSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 135377626) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID135377626
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nametrans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1nccn1C
InChIInChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyMYJBWYWTJVMBKL-HTQZYQBOSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1H-imidazole-1-butanoate
CID 3055389
Imidazole-1-butyric acid, 2-methyl-, ethyl ester
CID 3066545
ethyl 1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-(2-methoxyethyl)-4-piperidinecarboxylate
CID 42096266
Propyl 3,3-bis(1-methylimidazol-2-yl)propanoate
CID 24787589
Methyl 5-(2-formyl-1H-imidazol-1-yl)pentanoate
CID 162640677
Methyl 5-(2-(chloromethyl)-1H-imidazol-1-yl)pentanoate
CID 162640698
Methyl 5-(2-(hydroxymethyl)-1H-imidazol-1-yl)pentanoate
CID 162640702
Ethyl 1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 47013972
Ethyl 5-imidazol-1-ylpentanoate
CID 12803309
Ethyl 4-(3-methylimidazol-3-ium-1-yl)butanoate
CID 17821940
5-(2-Ethyl-1h-imidazol-1-yl) pentanoic acid
CID 61347134
Diethyl 2-[2-(2-methylimidazol-1-yl)ethyl]propanedioate
CID 134862465

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate (CID 135377626) is trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1nccn1C.
What is the InChIKey of trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is MYJBWYWTJVMBKL-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-10(13)8-6-7(8)9-11-4-5-12(9)2/h4-5,7-8H,3,6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(1-methylimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 135377626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).