1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone

C9H15NO2 — CID 102646952

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-10(2)7-8(11)9-5-3-4-6-12-9/h5H,3-4,6-7H2,1-2H3
InChIKeyDRZYJCULCXPZBO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone (PubChem CID 102646952) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
PubChem CID102646952
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-10(2)7-8(11)9-5-3-4-6-12-9/h5H,3-4,6-7H2,1-2H3
InChIKeyDRZYJCULCXPZBO-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(Dimethylamino)propoxy]-2-methylpyran-4-one
CID 82064670
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102646932
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102646933
3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
CID 102647000
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
CID 102648331
1-(2,3-Dihydrofuran-5-yl)-2-(dimethylamino)ethanone
CID 102651028
1-(3,4-dihydro-2H-pyran-6-yl)-2-morpholin-4-ylethanone
CID 130625510
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone
CID 130854897

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone (CID 102646952) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone?
The InChIKey is DRZYJCULCXPZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(2)7-8(11)9-5-3-4-6-12-9/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.81, 3 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-pyran-6-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 102646952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).