6-methyl-1-propylpyridine-2,4-dione

C9H13NO2 — CID 66490089

IUPAC6-methyl-1-propylpyridine-2,4-dione
SMILESCCCN1C(=O)CC(=O)C=C1C
InChIInChI=1S/C9H13NO2/c1-3-4-10-7(2)5-8(11)6-9(10)12/h5H,3-4,6H2,1-2H3
InChIKeyZCVJNEYNTYWQOE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds2

About 6-methyl-1-propylpyridine-2,4-dione

6-methyl-1-propylpyridine-2,4-dione (PubChem CID 66490089) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-1-propylpyridine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-propylpyridine-2,4-dione
PubChem CID66490089
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name6-methyl-1-propylpyridine-2,4-dione
SMILESCCCN1C(=O)CC(=O)C=C1C
InChIInChI=1S/C9H13NO2/c1-3-4-10-7(2)5-8(11)6-9(10)12/h5H,3-4,6H2,1-2H3
InChIKeyZCVJNEYNTYWQOE-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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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Related Compounds

1,6-Dimethyl-pyridin-2,4(1H,3H)-dion
CID 20637455
Quinolizine-2,4-dione
CID 154016772
1-Methyl-6-(trifluoromethyl)pyridine-2,4-dione
CID 67646629
2,4(1H,3H)-Pyridinedione, 3-acetyl-1,6-dimethyl-
CID 91724370
1,2,6-Trimethyldihydropyridin-4-one
CID 12291212
1-[(E)-hex-4-enoyl]-2,3-dihydropyridin-4-one
CID 122375671
1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one
CID 122375673
N-[(E)-4-oxopent-2-en-2-yl]-N-(3-oxopropyl)acetamide
CID 135083762
1,2,5,6-Tetrahydroindolizine-3,7-dione
CID 13854593
1-Acetyl-3-[ethyl(dimethyl)silyl]-6-methyl-2,3-dihydropyridin-4-one
CID 18711301
1,6-Di(propan-2-yl)pyridine-2,4-dione
CID 20786204
1,3,6-Trimethylpyridine-2,4-dione
CID 22890210

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propylpyridine-2,4-dione?
The IUPAC name of 6-methyl-1-propylpyridine-2,4-dione (CID 66490089) is 6-methyl-1-propylpyridine-2,4-dione.
What is the SMILES notation for 6-methyl-1-propylpyridine-2,4-dione?
The canonical SMILES for 6-methyl-1-propylpyridine-2,4-dione is CCCN1C(=O)CC(=O)C=C1C.
What is the InChIKey of 6-methyl-1-propylpyridine-2,4-dione?
The InChIKey is ZCVJNEYNTYWQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-4-10-7(2)5-8(11)6-9(10)12/h5H,3-4,6H2,1-2H3.
What are the key properties of 6-methyl-1-propylpyridine-2,4-dione?
6-methyl-1-propylpyridine-2,4-dione has a molecular weight of 167.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propylpyridine-2,4-dione is sourced from PubChem (CID 66490089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).