trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate

C11H13NO2 — CID 66837013

IUPACtrans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccccn1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-7-8(9)10-5-3-4-6-12-10/h3-6,8-9H,2,7H2,1H3/t8-,9-/m1/s1
InChIKeyFLUXXOZZARUHSQ-RKDXNWHRSA-N
MW191.23 g/mol
LogP1.75
Rot. Bonds3

About trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate (PubChem CID 66837013) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
PubChem CID66837013
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nametrans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1ccccn1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)9-7-8(9)10-5-3-4-6-12-10/h3-6,8-9H,2,7H2,1H3/t8-,9-/m1/s1
InChIKeyFLUXXOZZARUHSQ-RKDXNWHRSA-N
XLogP1.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate (CID 66837013) is trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1ccccn1.
What is the InChIKey of trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate?
The InChIKey is FLUXXOZZARUHSQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)9-7-8(9)10-5-3-4-6-12-10/h3-6,8-9H,2,7H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 66837013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).