2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate

C9H15NO2 — CID 58837120

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC=CCC1
InChIInChI=1S/C9H15NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3H,4-8H2,1H3
InChIKeyYMSDMKFKHWDPFQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate

2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate (PubChem CID 58837120) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate
PubChem CID58837120
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CC=CCC1
InChIInChI=1S/C9H15NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3H,4-8H2,1H3
InChIKeyYMSDMKFKHWDPFQ-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate 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 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate (CID 58837120) is 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate is CC(=O)OCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate?
The InChIKey is YMSDMKFKHWDPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-3H,4-8H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate?
2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)ethyl acetate is sourced from PubChem (CID 58837120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).