1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one

C14H19NO2 — CID 104769876

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H19NO2/c1-15(2)10-12(16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-6,11H,7-10H2,1-2H3
InChIKeyKAWGLROCOLMNDW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one

1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one (PubChem CID 104769876) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
PubChem CID104769876
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
SMILESCN(C)CC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C14H19NO2/c1-15(2)10-12(16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-6,11H,7-10H2,1-2H3
InChIKeyKAWGLROCOLMNDW-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
1-(3,4-dihydro-2H-chromen-4-yl)-3-piperidin-4-ylpropan-2-one
CID 116559906
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 116571971
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
1-butan-2-ylsulfanyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769830

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one (CID 104769876) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one is CN(C)CC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one?
The InChIKey is KAWGLROCOLMNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)10-12(16)9-11-7-8-17-14-6-4-3-5-13(11)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one is sourced from PubChem (CID 104769876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).