methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate

C12H15NO2 — CID 83929935

IUPACmethyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1ccncc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-8-10(11)3-2-9-4-6-13-7-5-9/h4-7,10-11H,2-3,8H2,1H3
InChIKeyVQJHNNHFDPCAEY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate

methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate (PubChem CID 83929935) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate
PubChem CID83929935
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1ccncc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-8-10(11)3-2-9-4-6-13-7-5-9/h4-7,10-11H,2-3,8H2,1H3
InChIKeyVQJHNNHFDPCAEY-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(4-pentoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83932635
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
methyl 2-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938289
CID 89108103
CID 89108103
methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
CID 83925307
methyl 3-pyridin-4-ylpropanoate
CID 3704115
methyl (2S,3aR,7aR)-1-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124793095
methyl 2-(pyridin-4-ylmethylsulfamoyl)cyclopentane-1-carboxylate
CID 103342294
methyl 1-benzyl-4-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 68912699

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate (CID 83929935) is methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate is COC(=O)C1CC1CCc1ccncc1.
What is the InChIKey of methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate?
The InChIKey is VQJHNNHFDPCAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11-8-10(11)3-2-9-4-6-13-7-5-9/h4-7,10-11H,2-3,8H2,1H3.
What are the key properties of methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate?
methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyridin-4-ylethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 83929935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).