1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone

C8H13NO — CID 169232193

IUPAC1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CN=CC(C)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h4,6,8H,3,5H2,1-2H3/t6?,8-/m0/s1
InChIKeyCAAFJLHFJGODEJ-XDKWHASVSA-N
MW139.20 g/mol
LogP1.30
Rot. Bonds1

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

1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone (PubChem CID 169232193) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
PubChem CID169232193
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
SMILESCC(=O)[C@@H]1CN=CC(C)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h4,6,8H,3,5H2,1-2H3/t6?,8-/m0/s1
InChIKeyCAAFJLHFJGODEJ-XDKWHASVSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Diethyl-2,4(3H,5H)-pyridinedione
CID 146678801
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
Bis(2,3,4,5-tetrahydropyridin-3-yl)methanone
CID 54262252
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
CID 58468605
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
1-(6-Methyl-2,3,4,5-tetrahydropyridin-3-yl)ethanone
CID 90928147
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone (CID 169232193) is 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone is CC(=O)[C@@H]1CN=CC(C)C1.
What is the InChIKey of 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The InChIKey is CAAFJLHFJGODEJ-XDKWHASVSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h4,6,8H,3,5H2,1-2H3/t6?,8-/m0/s1.
What are the key properties of 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone has a molecular weight of 139.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone is sourced from PubChem (CID 169232193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).