1,6-di(propan-2-yl)pyridine-2,4-dione

C11H17NO2 — CID 20786204

IUPAC1,6-di(propan-2-yl)pyridine-2,4-dione
SMILESCC(C)C1=CC(=O)CC(=O)N1C(C)C
InChIInChI=1S/C11H17NO2/c1-7(2)10-5-9(13)6-11(14)12(10)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyAJPNZLBZGOWTCQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds2

About 1,6-di(propan-2-yl)pyridine-2,4-dione

1,6-di(propan-2-yl)pyridine-2,4-dione (PubChem CID 20786204) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1,6-di(propan-2-yl)pyridine-2,4-dione.

Molecular Properties

Compound Name1,6-di(propan-2-yl)pyridine-2,4-dione
PubChem CID20786204
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1,6-di(propan-2-yl)pyridine-2,4-dione
SMILESCC(C)C1=CC(=O)CC(=O)N1C(C)C
InChIInChI=1S/C11H17NO2/c1-7(2)10-5-9(13)6-11(14)12(10)8(3)4/h5,7-8H,6H2,1-4H3
InChIKeyAJPNZLBZGOWTCQ-UHFFFAOYSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yl)pyridine-2,4-dione?
The IUPAC name of 1,6-di(propan-2-yl)pyridine-2,4-dione (CID 20786204) is 1,6-di(propan-2-yl)pyridine-2,4-dione.
What is the SMILES notation for 1,6-di(propan-2-yl)pyridine-2,4-dione?
The canonical SMILES for 1,6-di(propan-2-yl)pyridine-2,4-dione is CC(C)C1=CC(=O)CC(=O)N1C(C)C.
What is the InChIKey of 1,6-di(propan-2-yl)pyridine-2,4-dione?
The InChIKey is AJPNZLBZGOWTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7(2)10-5-9(13)6-11(14)12(10)8(3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yl)pyridine-2,4-dione?
1,6-di(propan-2-yl)pyridine-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yl)pyridine-2,4-dione is sourced from PubChem (CID 20786204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).