ethane;1-ethyl-3H-pyridine-2,6-dione

C9H15NO2 — CID 91431564

IUPACethane;1-ethyl-3H-pyridine-2,6-dione
SMILESCC.CCN1C(=O)C=CCC1=O
InChIInChI=1S/C7H9NO2.C2H6/c1-2-8-6(9)4-3-5-7(8)10;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyOYQDMNMUDWVUTO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.35
Rot. Bonds1

About ethane;1-ethyl-3H-pyridine-2,6-dione

ethane;1-ethyl-3H-pyridine-2,6-dione (PubChem CID 91431564) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethane;1-ethyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Nameethane;1-ethyl-3H-pyridine-2,6-dione
PubChem CID91431564
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethane;1-ethyl-3H-pyridine-2,6-dione
SMILESCC.CCN1C(=O)C=CCC1=O
InChIInChI=1S/C7H9NO2.C2H6/c1-2-8-6(9)4-3-5-7(8)10;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyOYQDMNMUDWVUTO-UHFFFAOYSA-N
XLogP1.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3H-pyridine-2,6-dione?
The IUPAC name of ethane;1-ethyl-3H-pyridine-2,6-dione (CID 91431564) is ethane;1-ethyl-3H-pyridine-2,6-dione.
What is the SMILES notation for ethane;1-ethyl-3H-pyridine-2,6-dione?
The canonical SMILES for ethane;1-ethyl-3H-pyridine-2,6-dione is CC.CCN1C(=O)C=CCC1=O.
What is the InChIKey of ethane;1-ethyl-3H-pyridine-2,6-dione?
The InChIKey is OYQDMNMUDWVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-2-8-6(9)4-3-5-7(8)10;1-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-3H-pyridine-2,6-dione?
ethane;1-ethyl-3H-pyridine-2,6-dione has a molecular weight of 169.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 91431564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).