2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C11H19NO2 — CID 58546769

IUPAC2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-9(2)10-4-6-12(7-5-10)11(13)8-14-3/h4,9H,5-8H2,1-3H3
InChIKeyXPKNLSSFEVXEFF-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds3

About 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 58546769) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID58546769
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCC(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C11H19NO2/c1-9(2)10-4-6-12(7-5-10)11(13)8-14-3/h4,9H,5-8H2,1-3H3
InChIKeyXPKNLSSFEVXEFF-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 58546769) is 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COCC(=O)N1CC=C(C(C)C)CC1.
What is the InChIKey of 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is XPKNLSSFEVXEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)10-4-6-12(7-5-10)11(13)8-14-3/h4,9H,5-8H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 58546769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).