2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone

C17H20NO2+ — CID 53315486

IUPAC2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone
SMILESC[N+]1(CC(=O)c2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C17H20NO2/c1-18(8-10-20-11-9-18)13-17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3/q+1
InChIKeyVTKHAOAKENIZAJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.50
Rot. Bonds3

About 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone

2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone (PubChem CID 53315486) has the molecular formula C17H20NO2+ and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone
PubChem CID53315486
Molecular FormulaC17H20NO2+
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone
SMILESC[N+]1(CC(=O)c2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C17H20NO2/c1-18(8-10-20-11-9-18)13-17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3/q+1
InChIKeyVTKHAOAKENIZAJ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
CID 87197273
CID 87197273
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-naphthalen-2-ylethanone;phenylboranuide
CID 160649337
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
2-(2-morpholin-4-ylethylamino)-1-naphthalen-2-ylethanone
CID 82101636
2-diethoxyphosphoryl-1-naphthalen-2-ylethanone
CID 177460457
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone (CID 53315486) is 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone is C[N+]1(CC(=O)c2ccc3ccccc3c2)CCOCC1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone?
The InChIKey is VTKHAOAKENIZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2/c1-18(8-10-20-11-9-18)13-17(19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3/q+1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone?
2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone has a molecular weight of 270.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)-1-naphthalen-2-ylethanone is sourced from PubChem (CID 53315486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).