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

C10H19NO — CID 169232192

IUPACethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
SMILESCC.CC(=O)[C@@H]1CN=CC(C)C1
InChIInChI=1S/C8H13NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h4,6,8H,3,5H2,1-2H3;1-2H3/t6?,8-;/m0./s1
InChIKeyMUGFXFCUTAOKQF-JLMZJVTKSA-N
MW169.27 g/mol
LogP2.33
Rot. Bonds1

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

ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone (PubChem CID 169232192) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
PubChem CID169232192
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
SMILESCC.CC(=O)[C@@H]1CN=CC(C)C1
InChIInChI=1S/C8H13NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h4,6,8H,3,5H2,1-2H3;1-2H3/t6?,8-;/m0./s1
InChIKeyMUGFXFCUTAOKQF-JLMZJVTKSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-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-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
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
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
2-Methyl-7-(2-methylpropylimino)heptan-3-one
CID 122676926
4-Propan-2-yl-2,3,4,5-tetrahydroazepin-6-one
CID 123322218
2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 130028070
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The IUPAC name of ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone (CID 169232192) is ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone.
What is the SMILES notation for ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The canonical SMILES for ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone is CC.CC(=O)[C@@H]1CN=CC(C)C1.
What is the InChIKey of ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
The InChIKey is MUGFXFCUTAOKQF-JLMZJVTKSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-6-3-8(7(2)10)5-9-4-6;1-2/h4,6,8H,3,5H2,1-2H3;1-2H3/t6?,8-;/m0./s1.
What are the key properties of ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone?
ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone has a molecular weight of 169.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone is sourced from PubChem (CID 169232192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).