1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one

C9H15NO — CID 102173669

IUPAC1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCC(C)=N1
InChIInChI=1S/C9H15NO/c1-7-4-3-5-9(10-7)6-8(2)11/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyDAKWFMWLKUCUON-VIFPVBQESA-N
MW153.22 g/mol
LogP1.98
Rot. Bonds2

About 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one

1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one (PubChem CID 102173669) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
PubChem CID102173669
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
SMILESCC(=O)C[C@@H]1CCCC(C)=N1
InChIInChI=1S/C9H15NO/c1-7-4-3-5-9(10-7)6-8(2)11/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyDAKWFMWLKUCUON-VIFPVBQESA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
1-(6-Methyl-2,3,4,5-tetrahydro-pyridin-2-yl)-propan-2-one
CID 90878365
1-[(2R)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
CID 101663292
2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
13-Azabicyclo[10.1.0]tridec-12-en-2-one
CID 12637116
1-[(2R)-2-propyl-2,3,4,5-tetrahydropyridin-6-yl]heptan-3-one
CID 134848008
1-(2-Propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
CID 134861026
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
1-Pyrroline, 2-hexanoyl
CID 529250
6-ethyl-3,5-dihydro-2H-pyridin-4-one
CID 20707265
1-(2,3,4,5-Tetrahydropyridin-2-yl)propan-2-one
CID 45085569
1-(3,4-dihydro-2H-pyrrol-5-yl)tetradecan-2-one
CID 54086955

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one?
The IUPAC name of 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one (CID 102173669) is 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one.
What is the SMILES notation for 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one?
The canonical SMILES for 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one is CC(=O)C[C@@H]1CCCC(C)=N1.
What is the InChIKey of 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one?
The InChIKey is DAKWFMWLKUCUON-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-3-5-9(10-7)6-8(2)11/h9H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one?
1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one is sourced from PubChem (CID 102173669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).