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

C11H19NO2 — CID 103852159

IUPAC2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(C)(C)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)11(2,3)14-4/h5H,6-8H2,1-4H3
InChIKeyBMOMRSLXNHFCRS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

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

2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 103852159) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID103852159
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(C)(C)C(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)11(2,3)14-4/h5H,6-8H2,1-4H3
InChIKeyBMOMRSLXNHFCRS-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 103852159) is 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is COC(C)(C)C(=O)N1CC=C(C)CC1.
What is the InChIKey of 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is BMOMRSLXNHFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)11(2,3)14-4/h5H,6-8H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is sourced from PubChem (CID 103852159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).