2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C16H21NO2 — CID 116919885

IUPAC2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CC1COCCN1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO2/c18-16(10-15-11-19-8-7-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,15,17H,1-4,7-8,10-11H2
InChIKeyFYYDGCBJSLEGCH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds3

About 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 116919885) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID116919885
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(CC1COCCN1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21NO2/c18-16(10-15-11-19-8-7-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,15,17H,1-4,7-8,10-11H2
InChIKeyFYYDGCBJSLEGCH-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
3-(2-morpholin-3-ylacetyl)benzonitrile
CID 81467194
3-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]morpholine
CID 104704054
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
1-(5-ethoxy-3-pyridinyl)-2-morpholin-3-ylethanone
CID 116595835
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-ylethanone
CID 79536264

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 116919885) is 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(CC1COCCN1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is FYYDGCBJSLEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(10-15-11-19-8-7-17-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9,15,17H,1-4,7-8,10-11H2.
What are the key properties of 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 116919885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).