1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone

C13H23NO2 — CID 146762247

IUPAC1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC=C(C(C)(C)C)[C@H]1C
InChIInChI=1S/C13H23NO2/c1-10-11(13(2,3)4)7-6-8-14(10)12(15)9-16-5/h7,10H,6,8-9H2,1-5H3/t10-/m1/s1
InChIKeyRPQVYDAJSOZPOX-SNVBAGLBSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds2

About 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone

1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone (PubChem CID 146762247) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
PubChem CID146762247
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC=C(C(C)(C)C)[C@H]1C
InChIInChI=1S/C13H23NO2/c1-10-11(13(2,3)4)7-6-8-14(10)12(15)9-16-5/h7,10H,6,8-9H2,1-5H3/t10-/m1/s1
InChIKeyRPQVYDAJSOZPOX-SNVBAGLBSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

2-methoxy-N-methyl-N-(3,3,5-trimethylcyclohexa-1,5-dien-1-yl)acetamide
CID 20718410
2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 58546769
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
CID 58547259
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-methoxypropan-1-one
CID 58547662
2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59091848
2-ethoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 70639902
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-ethoxyethanone
CID 70639905
2-methoxy-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 90305748
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxyethanone
CID 117970416
1-[(6S)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone
CID 146762246
1-(5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-methoxyethanone
CID 146762248
2-methoxy-1-[(6R)-6-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 147967011

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone (CID 146762247) is 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC=C(C(C)(C)C)[C@H]1C.
What is the InChIKey of 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone?
The InChIKey is RPQVYDAJSOZPOX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-11(13(2,3)4)7-6-8-14(10)12(15)9-16-5/h7,10H,6,8-9H2,1-5H3/t10-/m1/s1.
What are the key properties of 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone?
1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone has a molecular weight of 225.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-5-tert-butyl-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 146762247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).