2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone

C12H21NO2 — CID 147967011

IUPAC2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC(=O)N1CCC=C(C(C)C)[C@H]1C
InChIInChI=1S/C12H21NO2/c1-9(2)11-6-5-7-13(10(11)3)12(14)8-15-4/h6,9-10H,5,7-8H2,1-4H3/t10-/m1/s1
InChIKeyIQPLDNCQWICNDN-SNVBAGLBSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds3

About 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 147967011) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID147967011
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC(=O)N1CCC=C(C(C)C)[C@H]1C
InChIInChI=1S/C12H21NO2/c1-9(2)11-6-5-7-13(10(11)3)12(14)8-15-4/h6,9-10H,5,7-8H2,1-4H3/t10-/m1/s1
InChIKeyIQPLDNCQWICNDN-SNVBAGLBSA-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-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 147967011) is 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC(=O)N1CCC=C(C(C)C)[C@H]1C.
What is the InChIKey of 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IQPLDNCQWICNDN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)11-6-5-7-13(10(11)3)12(14)8-15-4/h6,9-10H,5,7-8H2,1-4H3/t10-/m1/s1.
What are the key properties of 2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone 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-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 147967011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).