1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone

C11H19NO2 — CID 106316926

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C11H19NO2/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h5H,3-4,6-9H2,1-2H3
InChIKeyMEEAKZUQQXWIKS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds4

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone (PubChem CID 106316926) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
PubChem CID106316926
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C11H19NO2/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h5H,3-4,6-9H2,1-2H3
InChIKeyMEEAKZUQQXWIKS-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone (CID 106316926) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone is CCCOCC(=O)N1CCC=C(C)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone?
The InChIKey is MEEAKZUQQXWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-7-14-9-11(13)12-6-4-5-10(2)8-12/h5H,3-4,6-9H2,1-2H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone has a molecular weight of 197.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone is sourced from PubChem (CID 106316926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).