4-methyl-1-propyl-4H-pyridine-2,3-dione

C9H13NO2 — CID 10154220

IUPAC4-methyl-1-propyl-4H-pyridine-2,3-dione
SMILESCCCN1C=CC(C)C(=O)C1=O
InChIInChI=1S/C9H13NO2/c1-3-5-10-6-4-7(2)8(11)9(10)12/h4,6-7H,3,5H2,1-2H3
InChIKeyBARXRAKIKDRUHI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds2

About 4-methyl-1-propyl-4H-pyridine-2,3-dione

4-methyl-1-propyl-4H-pyridine-2,3-dione (PubChem CID 10154220) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-1-propyl-4H-pyridine-2,3-dione.

Molecular Properties

Compound Name4-methyl-1-propyl-4H-pyridine-2,3-dione
PubChem CID10154220
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-methyl-1-propyl-4H-pyridine-2,3-dione
SMILESCCCN1C=CC(C)C(=O)C1=O
InChIInChI=1S/C9H13NO2/c1-3-5-10-6-4-7(2)8(11)9(10)12/h4,6-7H,3,5H2,1-2H3
InChIKeyBARXRAKIKDRUHI-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-4H-pyridine-2,3-dione?
The IUPAC name of 4-methyl-1-propyl-4H-pyridine-2,3-dione (CID 10154220) is 4-methyl-1-propyl-4H-pyridine-2,3-dione.
What is the SMILES notation for 4-methyl-1-propyl-4H-pyridine-2,3-dione?
The canonical SMILES for 4-methyl-1-propyl-4H-pyridine-2,3-dione is CCCN1C=CC(C)C(=O)C1=O.
What is the InChIKey of 4-methyl-1-propyl-4H-pyridine-2,3-dione?
The InChIKey is BARXRAKIKDRUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-5-10-6-4-7(2)8(11)9(10)12/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4-methyl-1-propyl-4H-pyridine-2,3-dione?
4-methyl-1-propyl-4H-pyridine-2,3-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-4H-pyridine-2,3-dione is sourced from PubChem (CID 10154220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).