1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one

C16H21NO3 — CID 116586320

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one
SMILESO=C(CC1CNCCO1)CC1OCCc2ccccc21
InChIInChI=1S/C16H21NO3/c18-13(9-14-11-17-6-8-19-14)10-16-15-4-2-1-3-12(15)5-7-20-16/h1-4,14,16-17H,5-11H2
InChIKeySLEZWNZCLFQQHZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.64
Rot. Bonds4

About 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one

1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one (PubChem CID 116586320) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one
PubChem CID116586320
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one
SMILESO=C(CC1CNCCO1)CC1OCCc2ccccc21
InChIInChI=1S/C16H21NO3/c18-13(9-14-11-17-6-8-19-14)10-16-15-4-2-1-3-12(15)5-7-20-16/h1-4,14,16-17H,5-11H2
InChIKeySLEZWNZCLFQQHZ-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
CID 114468363
N-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-2-ylacetamide
CID 66434176
1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-one
CID 114984047
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 124570696
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-morpholin-2-ylacetamide
CID 66433005
2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
2-morpholin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119674471
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568102
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537513
1-cyclohexylsulfanyl-3-(3,4-dihydro-1H-isochromen-1-yl)propan-2-one
CID 65139975
1-(3,4-dihydro-1H-isochromen-1-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589822
1-(3-bicyclo[3.1.0]hexanyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977102

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one (CID 116586320) is 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one is O=C(CC1CNCCO1)CC1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one?
The InChIKey is SLEZWNZCLFQQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-13(9-14-11-17-6-8-19-14)10-16-15-4-2-1-3-12(15)5-7-20-16/h1-4,14,16-17H,5-11H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one?
1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one is sourced from PubChem (CID 116586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).