1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

C17H23NO3 — CID 19879385

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)CCCO2)N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-17(2,18-7-10-20-11-8-18)16(19)14-5-6-15-13(12-14)4-3-9-21-15/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyKRBLWKUDJPUTHA-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.31
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 19879385) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID19879385
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)CCCO2)N1CCOCC1
InChIInChI=1S/C17H23NO3/c1-17(2,18-7-10-20-11-8-18)16(19)14-5-6-15-13(12-14)4-3-9-21-15/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyKRBLWKUDJPUTHA-UHFFFAOYSA-N
XLogP2.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 104542313
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2-methyl-1-(10-methylphenoxazin-2-yl)-2-morpholin-4-ylpropan-1-one
CID 19879386
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147279246
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 19879385) is 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc2c(c1)CCCO2)N1CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is KRBLWKUDJPUTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,18-7-10-20-11-8-18)16(19)14-5-6-15-13(12-14)4-3-9-21-15/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19879385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).