3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one

C15H17NO3 — CID 82159881

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H17NO3/c17-14-9-11(12-3-1-2-4-13(12)14)10-15(18)16-5-7-19-8-6-16/h1-4,11H,5-10H2
InChIKeyDGWXJHJQDUZSJI-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.61
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one

3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one (PubChem CID 82159881) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
PubChem CID82159881
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
SMILESO=C1CC(CC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C15H17NO3/c17-14-9-11(12-3-1-2-4-13(12)14)10-15(18)16-5-7-19-8-6-16/h1-4,11H,5-10H2
InChIKeyDGWXJHJQDUZSJI-UHFFFAOYSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one (CID 82159881) is 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one is O=C1CC(CC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one?
The InChIKey is DGWXJHJQDUZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14-9-11(12-3-1-2-4-13(12)14)10-15(18)16-5-7-19-8-6-16/h1-4,11H,5-10H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one?
3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one has a molecular weight of 259.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 82159881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).