trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate

C15H16N2O2 — CID 124671256

IUPACtrans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)13-7-12(13)10-3-5-11(6-4-10)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeySNWOQIWYHRRUOF-QWHCGFSZSA-N
MW256.31 g/mol
LogP2.74
Rot. Bonds4

About trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate (PubChem CID 124671256) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
PubChem CID124671256
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Nametrans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H16N2O2/c1-2-19-15(18)13-7-12(13)10-3-5-11(6-4-10)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeySNWOQIWYHRRUOF-QWHCGFSZSA-N
XLogP2.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
CID 141092878
cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
CID 129394247
trans-ethyl (1S,2S)-2-[4-(5-iodo-1-methyl-4,5-dihydroimidazol-4-yl)phenyl]cyclopropane-1-carboxylate
CID 130257037
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
trans-ethyl (1S,2S)-2-[4-(5-bromo-2-cyclopropyl-1,3-oxazol-4-yl)phenyl]cyclopropane-1-carboxylate
CID 66873112
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
1-fluoro-2-[(1R,2R)-2-methylcyclopropyl]benzene;trans-ethyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 161322254

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate (CID 124671256) is trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is SNWOQIWYHRRUOF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-19-15(18)13-7-12(13)10-3-5-11(6-4-10)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 124671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).