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

C11H19NO2 — CID 102646932

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCN(C)C(C)(C)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,12(3)4)10(13)9-7-5-6-8-14-9/h7H,5-6,8H2,1-4H3
InChIKeySXUBQGZJUOBLBE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one (PubChem CID 102646932) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
PubChem CID102646932
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
SMILESCN(C)C(C)(C)C(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-11(2,12(3)4)10(13)9-7-5-6-8-14-9/h7H,5-6,8H2,1-4H3
InChIKeySXUBQGZJUOBLBE-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102646933
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 102646934
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102646935
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 102646936
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102646938
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 102646941
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-one
CID 102646942
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
CID 102646952
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102648335

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one (CID 102646932) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one is CN(C)C(C)(C)C(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is SXUBQGZJUOBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2,12(3)4)10(13)9-7-5-6-8-14-9/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 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)-2-methylpropan-1-one is sourced from PubChem (CID 102646932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).