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

C12H21NO2 — CID 90305748

IUPAC2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4/h5,9-10H,6-8H2,1-4H3
InChIKeyJSLQANRQLTXKQP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds3

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

2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 90305748) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID90305748
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CC=C(C(C)C)CC1
InChIInChI=1S/C12H21NO2/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4/h5,9-10H,6-8H2,1-4H3
InChIKeyJSLQANRQLTXKQP-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
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)propan-1-one?
The IUPAC name of 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 90305748) is 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is COC(C)C(=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)propan-1-one?
The InChIKey is JSLQANRQLTXKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)15-4/h5,9-10H,6-8H2,1-4H3.
What are the key properties of 2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.84, 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)propan-1-one is sourced from PubChem (CID 90305748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).