2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide

C10H15NO2 — CID 163521970

IUPAC2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide
SMILESCCC1=C(CC(=O)NC)C=CCO1
InChIInChI=1S/C10H15NO2/c1-3-9-8(5-4-6-13-9)7-10(12)11-2/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyMUHJMDCOGKXXDZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.37
Rot. Bonds3

About 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide

2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide (PubChem CID 163521970) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide
PubChem CID163521970
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide
SMILESCCC1=C(CC(=O)NC)C=CCO1
InChIInChI=1S/C10H15NO2/c1-3-9-8(5-4-6-13-9)7-10(12)11-2/h4-5H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyMUHJMDCOGKXXDZ-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide?
The IUPAC name of 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide (CID 163521970) is 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide is CCC1=C(CC(=O)NC)C=CCO1.
What is the InChIKey of 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide?
The InChIKey is MUHJMDCOGKXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9-8(5-4-6-13-9)7-10(12)11-2/h4-5H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide?
2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide has a molecular weight of 181.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2H-pyran-5-yl)-N-methylacetamide is sourced from PubChem (CID 163521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).