1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one

C10H17NO2 — CID 116566550

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-10(2,11-3)9(12)8-5-4-6-13-7-8/h7,11H,4-6H2,1-3H3
InChIKeyWXWNZSSZWMBGSF-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566550) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566550
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCNC(C)(C)C(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-10(2,11-3)9(12)8-5-4-6-13-7-8/h7,11H,4-6H2,1-3H3
InChIKeyWXWNZSSZWMBGSF-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylpentan-1-one
CID 116557172
[4-[2-[4-(3,4-dihydro-2H-pyran-5-carbonyloxy)phenyl]propan-2-yl]phenyl] 3,4-dihydro-2H-pyran-5-carboxylate
CID 91431115
tert-butyl N-[(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-1-oxopropan-2-yl]carbamate
CID 165464644
1-(3,4-dihydro-2H-pyran-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 116575541
1-(3,4-dihydro-2H-pyran-5-yl)-2-(propylamino)ethanone
CID 116562949
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-one
CID 116709884
azetidin-1-yl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 131084146
N-[(2S)-2-(3,4-dihydro-2H-pyran-5-carbonylamino)pentyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 97211367
2-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroacetic acid
CID 84717977
2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone
CID 39871133
4-(3,4-dihydro-2H-pyran-5-carbonylamino)pentanoic acid
CID 115923971
3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methanone
CID 115798228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one (CID 116566550) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one is CNC(C)(C)C(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is WXWNZSSZWMBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,11-3)9(12)8-5-4-6-13-7-8/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).