1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one

C10H17NO — CID 123562706

IUPAC1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=NCCC(C)C1C
InChIInChI=1S/C10H17NO/c1-4-9(12)10-8(3)7(2)5-6-11-10/h7-8H,4-6H2,1-3H3
InChIKeyARSOEIWROWADKH-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.08
Rot. Bonds2

About 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one

1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one (PubChem CID 123562706) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
PubChem CID123562706
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one
SMILESCCC(=O)C1=NCCC(C)C1C
InChIInChI=1S/C10H17NO/c1-4-9(12)10-8(3)7(2)5-6-11-10/h7-8H,4-6H2,1-3H3
InChIKeyARSOEIWROWADKH-UHFFFAOYSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 135075822
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018
5-Propan-2-yl-2-(2,3,4,5-tetrahydropyridin-6-yl)cyclohexane-1,3-dione
CID 53717461
1-(6-Methyl-2,3,4,5-tetrahydropyridin-5-yl)ethanone
CID 53819182
2-(4-Methyl-2,3,4,5-tetrahydropyridin-6-yl)-5-propan-2-ylcyclohexane-1,3-dione
CID 53918927
2-(3,4-dihydro-2H-pyrrol-5-yl)-5-propan-2-ylcyclohexane-1,3-dione
CID 54064170
5-butan-2-yl-2-(3,4-dihydro-2H-pyrrol-5-yl)cyclohexane-1,3-dione
CID 54180103
1-(6-butyl-2,4,4-trimethyl-3,5-dihydro-2H-pyridin-5-yl)ethanone
CID 54291385
1-(4,4-dimethyl-3,5-dihydro-2H-pyridin-6-yl)propan-1-one
CID 54399934

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one?
The IUPAC name of 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one (CID 123562706) is 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one.
What is the SMILES notation for 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one?
The canonical SMILES for 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one is CCC(=O)C1=NCCC(C)C1C.
What is the InChIKey of 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one?
The InChIKey is ARSOEIWROWADKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(12)10-8(3)7(2)5-6-11-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one?
1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-2,3,4,5-tetrahydropyridin-6-yl)propan-1-one is sourced from PubChem (CID 123562706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).