1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone

C10H17NO — CID 142996241

IUPAC1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone
SMILESCCCC1=CCN[C@H](C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5,10-11H,3-4,6-7H2,1-2H3/t10-/m0/s1
InChIKeyCEZYCMWIUUCKAL-JTQLQIEISA-N
MW167.25 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone

1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone (PubChem CID 142996241) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone
PubChem CID142996241
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone
SMILESCCCC1=CCN[C@H](C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5,10-11H,3-4,6-7H2,1-2H3/t10-/m0/s1
InChIKeyCEZYCMWIUUCKAL-JTQLQIEISA-N
XLogP1.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,6-tetrahydropyridin-2-yl)ethanone
CID 23523876
4-trimethylsilyloxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 90015690
methyl (2S)-4-methyl-1,2,3,6-tetrahydropyridine-2-carboxylate
CID 45082153
1-(1,2,3,4-tetrahydrocycloocta[c]pyridin-3-yl)ethanone
CID 163829432
4,5-ditert-butyl-1-propylcyclohexene
CID 59036734
2-methyl-5-propyl-1,2,3,6-tetrahydropyridine
CID 90711400
2-hydroxy-5-propylcyclohexa-2,5-dien-1-one
CID 89266132
1-[(3S)-8-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]ethanone
CID 59916130
(5S)-5-[bis(3,5-dipropylphenyl)-hydroxymethyl]pyrrolidin-2-one
CID 24815206
6-acetylpiperidine-2,4-dione
CID 89154967
N,N-dimethylacetamide;ethane;1-propylcyclohepta-1,4-diene
CID 143342745
1-pyrrolidin-2-ylbutan-1-one
CID 54066710

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone (CID 142996241) is 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone is CCCC1=CCN[C@H](C(C)=O)C1.
What is the InChIKey of 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone?
The InChIKey is CEZYCMWIUUCKAL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-9-5-6-11-10(7-9)8(2)12/h5,10-11H,3-4,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone?
1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-propyl-1,2,3,6-tetrahydropyridin-2-yl]ethanone is sourced from PubChem (CID 142996241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).