N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide

C9H15NO2 — CID 151902037

IUPACN-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
SMILESCCNC(=O)C1=C(C)CCOC1
InChIInChI=1S/C9H15NO2/c1-3-10-9(11)8-6-12-5-4-7(8)2/h3-6H2,1-2H3,(H,10,11)
InChIKeySSYPUQFLIKFHLI-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds2

About N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide

N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide (PubChem CID 151902037) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
PubChem CID151902037
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide
SMILESCCNC(=O)C1=C(C)CCOC1
InChIInChI=1S/C9H15NO2/c1-3-10-9(11)8-6-12-5-4-7(8)2/h3-6H2,1-2H3,(H,10,11)
InChIKeySSYPUQFLIKFHLI-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(methoxymethyl)-6-oxo-2,3-dihydro-1H-pyridine-5-carboxylate
CID 91182445
5-(ethoxymethyl)-2,3-dihydro-1H-pyridin-6-one
CID 143931906
4-formamido-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyran-5-carboxamide
CID 153576686
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbut-2-enamide
CID 131140758
N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
CID 131176346
(E)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)but-2-enamide
CID 131237361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide (CID 151902037) is N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide is CCNC(=O)C1=C(C)CCOC1.
What is the InChIKey of N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
The InChIKey is SSYPUQFLIKFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-10-9(11)8-6-12-5-4-7(8)2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide?
N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3,6-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 151902037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).