2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide

C10H17NO3 — CID 121215909

IUPAC2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide
SMILESCO[C@@H]1C=CCC(CC(=O)N(C)C)O1
InChIInChI=1S/C10H17NO3/c1-11(2)9(12)7-8-5-4-6-10(13-3)14-8/h4,6,8,10H,5,7H2,1-3H3/t8?,10-/m0/s1
InChIKeyOQDCOOLBHSDYEM-HTLJXXAVSA-N
MW199.25 g/mol
LogP0.78
Rot. Bonds3

About 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide

2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide (PubChem CID 121215909) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide
PubChem CID121215909
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide
SMILESCO[C@@H]1C=CCC(CC(=O)N(C)C)O1
InChIInChI=1S/C10H17NO3/c1-11(2)9(12)7-8-5-4-6-10(13-3)14-8/h4,6,8,10H,5,7H2,1-3H3/t8?,10-/m0/s1
InChIKeyOQDCOOLBHSDYEM-HTLJXXAVSA-N
XLogP0.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 102509216
1-[(2S,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]propan-2-one
CID 11252604
methyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11745085
2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide
CID 67855878
[(1R,2S)-2-[2-(dimethylamino)-2-oxoethyl]cyclopent-3-en-1-yl] propanoate
CID 102505512
2-[(2R,3R,4R,6R)-2,4-bis(hydroxymethyl)-6-methoxyoxan-3-yl]-N,N-dimethylacetamide
CID 22885067
(2S,6S)-2-(chloromethyl)-6-propan-2-yloxy-3,6-dihydro-2H-pyran
CID 11321441
N,N-dimethyl-2-[(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetamide
CID 139440455
2-(4-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781479
N,N-dimethyl-2-(4-methylmorpholin-2-yl)acetamide
CID 143368869
ethyl 6-propoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 557224
(2S)-2-(furan-3-yl)-6-methoxy-3,6-dihydro-2H-pyran
CID 11275373

Frequently Asked Questions

What is the IUPAC name of 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide (CID 121215909) is 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide is CO[C@@H]1C=CCC(CC(=O)N(C)C)O1.
What is the InChIKey of 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide?
The InChIKey is OQDCOOLBHSDYEM-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H17NO3/c1-11(2)9(12)7-8-5-4-6-10(13-3)14-8/h4,6,8,10H,5,7H2,1-3H3/t8?,10-/m0/s1.
What are the key properties of 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide?
2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide has a molecular weight of 199.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 121215909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).