1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone

C10H15NO2 — CID 59918740

IUPAC1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC=C[C@@H](C)N1C(C)=O
InChIInChI=1S/C10H15NO2/c1-7-5-4-6-10(8(2)12)11(7)9(3)13/h4-5,7,10H,6H2,1-3H3/t7-,10+/m1/s1
InChIKeyIVTPMSHXHAPMBI-XCBNKYQSSA-N
MW181.23 g/mol
LogP1.14
Rot. Bonds1

About 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone

1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone (PubChem CID 59918740) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone
PubChem CID59918740
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC=C[C@@H](C)N1C(C)=O
InChIInChI=1S/C10H15NO2/c1-7-5-4-6-10(8(2)12)11(7)9(3)13/h4-5,7,10H,6H2,1-3H3/t7-,10+/m1/s1
InChIKeyIVTPMSHXHAPMBI-XCBNKYQSSA-N
XLogP1.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S,5R)-5-methylcyclohex-3-en-1-yl]ethanone
CID 11040773
1-(1-acetyl-5-chloropyrrolidin-2-yl)ethanone
CID 143025391
tert-butyl (2S,6S)-2-(hydroxymethyl)-6-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 163900205
1-(2,3,4,5-tetramethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 14248785
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
1-acetyl-2,3-dihydropyrrole-2-carboxamide
CID 66755761
1-[(1S,2Z,4Z,6Z,8R)-9-azabicyclo[6.1.0]nona-2,4,6-trien-9-yl]ethanone
CID 13012599
1-(5-methoxy-6-methylcyclohex-3-en-1-yl)ethanone
CID 130029378
tert-butyl (2S)-2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 171048922
tert-butyl 2-acetyl-2,3-dihydropyrrole-1-carboxylate
CID 118329389
1-(5-hydroxycyclohex-3-en-1-yl)ethanone
CID 71436445
1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone (CID 59918740) is 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone is CC(=O)[C@@H]1CC=C[C@@H](C)N1C(C)=O.
What is the InChIKey of 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone?
The InChIKey is IVTPMSHXHAPMBI-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-4-6-10(8(2)12)11(7)9(3)13/h4-5,7,10H,6H2,1-3H3/t7-,10+/m1/s1.
What are the key properties of 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone?
1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-1-acetyl-6-methyl-3,6-dihydro-2H-pyridin-2-yl]ethanone is sourced from PubChem (CID 59918740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).