1,3,4,5-tetramethyl-3H-pyridine-2,6-dione

C9H13NO2 — CID 18725077

IUPAC1,3,4,5-tetramethyl-3H-pyridine-2,6-dione
SMILESCC1=C(C)C(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h6H,1-4H3
InChIKeyNDPSFPPOLYNHDX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds

About 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione

1,3,4,5-tetramethyl-3H-pyridine-2,6-dione (PubChem CID 18725077) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-3H-pyridine-2,6-dione
PubChem CID18725077
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1,3,4,5-tetramethyl-3H-pyridine-2,6-dione
SMILESCC1=C(C)C(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h6H,1-4H3
InChIKeyNDPSFPPOLYNHDX-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
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 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione?
The IUPAC name of 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione (CID 18725077) is 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione?
The canonical SMILES for 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione is CC1=C(C)C(C)C(=O)N(C)C1=O.
What is the InChIKey of 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione?
The InChIKey is NDPSFPPOLYNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-5-6(2)8(11)10(4)9(12)7(5)3/h6H,1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione?
1,3,4,5-tetramethyl-3H-pyridine-2,6-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 18725077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).