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

C8H13NO — CID 54276211

IUPAC1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one
SMILESCC(=O)CC1=NCCCC1
InChIInChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h2-6H2,1H3
InChIKeyRNPJYJWOONZRQO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.59
Rot. Bonds2

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

1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one (PubChem CID 54276211) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one
PubChem CID54276211
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one
SMILESCC(=O)CC1=NCCCC1
InChIInChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h2-6H2,1H3
InChIKeyRNPJYJWOONZRQO-UHFFFAOYSA-N
XLogP1.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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
6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one
CID 153301248
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-butanoyl
CID 529249
1-Pyrroline, 2-hexanoyl
CID 529250
2-Acetyl-3-methyl-3,4,5,6-tetrahydropyridine
CID 566018

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one?
The IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one (CID 54276211) is 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one is CC(=O)CC1=NCCCC1.
What is the InChIKey of 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one?
The InChIKey is RNPJYJWOONZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(10)6-8-4-2-3-5-9-8/h2-6H2,1H3.
What are the key properties of 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one?
1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydropyridin-6-yl)propan-2-one is sourced from PubChem (CID 54276211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).