(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

C17H16N2O2 — CID 15537667

IUPAC(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESO=C1OC(c2ccccn2)(c2ccccn2)[C@@H]2CCC[C@H]12
InChIInChI=1S/C17H16N2O2/c20-16-12-6-5-7-13(12)17(21-16,14-8-1-3-10-18-14)15-9-2-4-11-19-15/h1-4,8-13H,5-7H2/t12-,13+/m0/s1
InChIKeyCAMNURHKIWOVQY-QWHCGFSZSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds2

About (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (PubChem CID 15537667) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.

Molecular Properties

Compound Name(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
PubChem CID15537667
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESO=C1OC(c2ccccn2)(c2ccccn2)[C@@H]2CCC[C@H]12
InChIInChI=1S/C17H16N2O2/c20-16-12-6-5-7-13(12)17(21-16,14-8-1-3-10-18-14)15-9-2-4-11-19-15/h1-4,8-13H,5-7H2/t12-,13+/m0/s1
InChIKeyCAMNURHKIWOVQY-QWHCGFSZSA-N
XLogP2.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The IUPAC name of (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (CID 15537667) is (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.
What is the SMILES notation for (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The canonical SMILES for (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is O=C1OC(c2ccccn2)(c2ccccn2)[C@@H]2CCC[C@H]12.
What is the InChIKey of (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The InChIKey is CAMNURHKIWOVQY-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-12-6-5-7-13(12)17(21-16,14-8-1-3-10-18-14)15-9-2-4-11-19-15/h1-4,8-13H,5-7H2/t12-,13+/m0/s1.
What are the key properties of (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
(3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one has a molecular weight of 280.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3,3-dipyridin-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is sourced from PubChem (CID 15537667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).