1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione

C11H16N2O2 — CID 130909085

IUPAC1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CCN2CC=CCC2)C1
InChIInChI=1S/C11H16N2O2/c14-10-8-11(15)13(9-10)7-6-12-4-2-1-3-5-12/h1-2H,3-9H2
InChIKeyOICWGOYPVCQDIP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.05
Rot. Bonds3

About 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione

1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione (PubChem CID 130909085) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione
PubChem CID130909085
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(CCN2CC=CCC2)C1
InChIInChI=1S/C11H16N2O2/c14-10-8-11(15)13(9-10)7-6-12-4-2-1-3-5-12/h1-2H,3-9H2
InChIKeyOICWGOYPVCQDIP-UHFFFAOYSA-N
XLogP0.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione (CID 130909085) is 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione is O=C1CC(=O)N(CCN2CC=CCC2)C1.
What is the InChIKey of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione?
The InChIKey is OICWGOYPVCQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-8-11(15)13(9-10)7-6-12-4-2-1-3-5-12/h1-2H,3-9H2.
What are the key properties of 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione?
1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 130909085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).