5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione

C13H21NO2 — CID 23600268

IUPAC5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione
SMILESCC(C)C1=C(C(C)(C)C)C(=O)N(C)C(=O)C1
InChIInChI=1S/C13H21NO2/c1-8(2)9-7-10(15)14(6)12(16)11(9)13(3,4)5/h8H,7H2,1-6H3
InChIKeyYQGQRCQPZVDXBV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.37
Rot. Bonds1

About 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione

5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione (PubChem CID 23600268) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione
PubChem CID23600268
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione
SMILESCC(C)C1=C(C(C)(C)C)C(=O)N(C)C(=O)C1
InChIInChI=1S/C13H21NO2/c1-8(2)9-7-10(15)14(6)12(16)11(9)13(3,4)5/h8H,7H2,1-6H3
InChIKeyYQGQRCQPZVDXBV-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.37
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 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione?
The IUPAC name of 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione (CID 23600268) is 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione.
What is the SMILES notation for 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione?
The canonical SMILES for 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione is CC(C)C1=C(C(C)(C)C)C(=O)N(C)C(=O)C1.
What is the InChIKey of 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione?
The InChIKey is YQGQRCQPZVDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)9-7-10(15)14(6)12(16)11(9)13(3,4)5/h8H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione?
5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione has a molecular weight of 223.32 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-4-propan-2-yl-3H-pyridine-2,6-dione is sourced from PubChem (CID 23600268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).