3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one

C17H15NO2 — CID 116825850

IUPAC3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one
SMILESO=C(C#CN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,9-12H2
InChIKeyOITIOQHZXRDMOL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.32
Rot. Bonds1

About 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one

3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one (PubChem CID 116825850) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one
PubChem CID116825850
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one
SMILESO=C(C#CN1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,9-12H2
InChIKeyOITIOQHZXRDMOL-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-morpholin-4-yl-1-(4-propan-2-ylphenyl)prop-2-yn-1-one
CID 116825789
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
1-(5-bromo-2-methylphenyl)-3-morpholin-4-ylprop-2-yn-1-one
CID 116825831
naphthalene-2-carboxylic acid
CID 175967775
3-benzoyl-2-morpholin-4-yl-1-naphthalen-2-yl-4-phenylbut-2-ene-1,4-dione
CID 71723118
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
morpholin-4-yl(naphthalen-2-yl)methanimine
CID 63179433
3-cyclohexyl-1-naphthalen-2-ylprop-2-yn-1-one
CID 154709861
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one?
The IUPAC name of 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one (CID 116825850) is 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one is O=C(C#CN1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one?
The InChIKey is OITIOQHZXRDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(7-8-18-9-11-20-12-10-18)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,9-12H2.
What are the key properties of 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one?
3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-naphthalen-2-ylprop-2-yn-1-one is sourced from PubChem (CID 116825850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).