9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C17H17NO3 — CID 3164193

IUPAC9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2CC3CC2C1C3C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NO3/c19-16(18-6-5-9-3-1-2-4-12(9)18)14-10-7-11-13(8-10)21-17(20)15(11)14/h1-4,10-11,13-15H,5-8H2
InChIKeyWUJYROUWYWTOOG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.77
Rot. Bonds1

About 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 3164193) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID3164193
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2CC3CC2C1C3C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H17NO3/c19-16(18-6-5-9-3-1-2-4-12(9)18)14-10-7-11-13(8-10)21-17(20)15(11)14/h1-4,10-11,13-15H,5-8H2
InChIKeyWUJYROUWYWTOOG-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 3164193) is 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2CC3CC2C1C3C(=O)N1CCc2ccccc21.
What is the InChIKey of 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is WUJYROUWYWTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(18-6-5-9-3-1-2-4-12(9)18)14-10-7-11-13(8-10)21-17(20)15(11)14/h1-4,10-11,13-15H,5-8H2.
What are the key properties of 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 283.33 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydroindole-1-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 3164193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).