2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

C17H15NO3 — CID 115783640

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCc2cccnc21
InChIInChI=1S/C17H15NO3/c19-17(13-5-3-11-2-1-7-18-16(11)13)12-4-6-14-15(10-12)21-9-8-20-14/h1-2,4,6-7,10,13H,3,5,8-9H2
InChIKeyGYFNNJFKOZOACN-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.77
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (PubChem CID 115783640) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
PubChem CID115783640
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCc2cccnc21
InChIInChI=1S/C17H15NO3/c19-17(13-5-3-11-2-1-7-18-16(11)13)12-4-6-14-15(10-12)21-9-8-20-14/h1-2,4,6-7,10,13H,3,5,8-9H2
InChIKeyGYFNNJFKOZOACN-UHFFFAOYSA-N
XLogP2.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone (CID 115783640) is 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is O=C(c1ccc2c(c1)OCCO2)C1CCc2cccnc21.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
The InChIKey is GYFNNJFKOZOACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(13-5-3-11-2-1-7-18-16(11)13)12-4-6-14-15(10-12)21-9-8-20-14/h1-2,4,6-7,10,13H,3,5,8-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone has a molecular weight of 281.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone is sourced from PubChem (CID 115783640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).