1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone

C7H11NO — CID 45085159

IUPAC1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1CCC=NC1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h4,7H,2-3,5H2,1H3
InChIKeyMOBSKTXNYSGYMQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds1

About 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone

1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone (PubChem CID 45085159) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone
PubChem CID45085159
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone
SMILESCC(=O)C1CCC=NC1
InChIInChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h4,7H,2-3,5H2,1H3
InChIKeyMOBSKTXNYSGYMQ-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The IUPAC name of 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone (CID 45085159) is 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The canonical SMILES for 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone is CC(=O)C1CCC=NC1.
What is the InChIKey of 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone?
The InChIKey is MOBSKTXNYSGYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)7-3-2-4-8-5-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone?
1-(2,3,4,5-tetrahydropyridin-3-yl)ethanone has a molecular weight of 125.17 g/mol, XLogP of 1.06, 1 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-3-yl)ethanone is sourced from PubChem (CID 45085159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).