N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide

C10H17NO3 — CID 130020199

IUPACN-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide
SMILESCOC1C=CCC(C(C)NC(C)=O)O1
InChIInChI=1S/C10H17NO3/c1-7(11-8(2)12)9-5-4-6-10(13-3)14-9/h4,6-7,9-10H,5H2,1-3H3,(H,11,12)
InChIKeyJEPGONAIMZHKNH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.83
Rot. Bonds3

About N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide

N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide (PubChem CID 130020199) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide
PubChem CID130020199
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide
SMILESCOC1C=CCC(C(C)NC(C)=O)O1
InChIInChI=1S/C10H17NO3/c1-7(11-8(2)12)9-5-4-6-10(13-3)14-9/h4,6-7,9-10H,5H2,1-3H3,(H,11,12)
InChIKeyJEPGONAIMZHKNH-UHFFFAOYSA-N
XLogP0.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide (CID 130020199) is N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide is COC1C=CCC(C(C)NC(C)=O)O1.
What is the InChIKey of N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide?
The InChIKey is JEPGONAIMZHKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(11-8(2)12)9-5-4-6-10(13-3)14-9/h4,6-7,9-10H,5H2,1-3H3,(H,11,12).
What are the key properties of N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide?
N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide has a molecular weight of 199.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide is sourced from PubChem (CID 130020199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).