trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate

C10H11NO2 — CID 118994202

IUPACtrans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-5-8(9)7-3-2-4-11-6-7/h2-4,6,8-9H,5H2,1H3/t8-,9+/m0/s1
InChIKeyTVWVRKFZYVEIFU-DTWKUNHWSA-N
MW177.20 g/mol
LogP1.36
Rot. Bonds2

About trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate

trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate (PubChem CID 118994202) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
PubChem CID118994202
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Nametrans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H]1c1cccnc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)9-5-8(9)7-3-2-4-11-6-7/h2-4,6,8-9H,5H2,1H3/t8-,9+/m0/s1
InChIKeyTVWVRKFZYVEIFU-DTWKUNHWSA-N
XLogP1.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate (CID 118994202) is trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@H]1c1cccnc1.
What is the InChIKey of trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate?
The InChIKey is TVWVRKFZYVEIFU-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)9-5-8(9)7-3-2-4-11-6-7/h2-4,6,8-9H,5H2,1H3/t8-,9+/m0/s1.
What are the key properties of trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate is sourced from PubChem (CID 118994202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).