[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate

C13H11NO3 — CID 99827704

IUPAC[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate
SMILESO=C(O[C@@H]1CCc2cccnc21)c1ccoc1
InChIInChI=1S/C13H11NO3/c15-13(10-5-7-16-8-10)17-11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2/t11-/m1/s1
InChIKeyLTOJPZNRRWFSKW-LLVKDONJSA-N
MW229.24 g/mol
LogP2.52
Rot. Bonds2

About [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate

[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate (PubChem CID 99827704) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate.

Molecular Properties

Compound Name[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate
PubChem CID99827704
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate
SMILESO=C(O[C@@H]1CCc2cccnc21)c1ccoc1
InChIInChI=1S/C13H11NO3/c15-13(10-5-7-16-8-10)17-11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2/t11-/m1/s1
InChIKeyLTOJPZNRRWFSKW-LLVKDONJSA-N
XLogP2.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate?
The IUPAC name of [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate (CID 99827704) is [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate.
What is the SMILES notation for [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate?
The canonical SMILES for [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate is O=C(O[C@@H]1CCc2cccnc21)c1ccoc1.
What is the InChIKey of [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate?
The InChIKey is LTOJPZNRRWFSKW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(10-5-7-16-8-10)17-11-4-3-9-2-1-6-14-12(9)11/h1-2,5-8,11H,3-4H2/t11-/m1/s1.
What are the key properties of [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate?
[(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] furan-3-carboxylate is sourced from PubChem (CID 99827704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).