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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
CID 170552669
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230
2-[1'-(morpholine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-pyrrolidin-1-ylethanone
CID 131652878
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
1-morpholin-4-yl-2-[1'-(2-phenoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 131661049
2-[1'-(furan-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-morpholin-4-ylethanone
CID 131660230
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
CID 17449767
2-(1'-cyclopropylsulfonylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-1-morpholin-4-ylethanone
CID 131647920

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).