1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone

C10H17NO3 — CID 103947474

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC=CCC1
InChIInChI=1S/C10H17NO3/c1-13-7-8-14-9-10(12)11-5-3-2-4-6-11/h2-3H,4-9H2,1H3
InChIKeyJGJYQGRIRHNUIC-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds5

About 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone

1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 103947474) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID103947474
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC=CCC1
InChIInChI=1S/C10H17NO3/c1-13-7-8-14-9-10(12)11-5-3-2-4-6-11/h2-3H,4-9H2,1H3
InChIKeyJGJYQGRIRHNUIC-UHFFFAOYSA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone (CID 103947474) is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CC=CCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is JGJYQGRIRHNUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-7-8-14-9-10(12)11-5-3-2-4-6-11/h2-3H,4-9H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone?
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 199.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 103947474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).