5,6-di(propan-2-yl)-1H-pyridine-2,4-dione

C11H17NO2 — CID 23393318

IUPAC5,6-di(propan-2-yl)-1H-pyridine-2,4-dione
SMILESCC(C)C1=C(C(C)C)C(=O)CC(=O)N1
InChIInChI=1S/C11H17NO2/c1-6(2)10-8(13)5-9(14)12-11(10)7(3)4/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyPFBOAAIIRGWLMX-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.64
Rot. Bonds2

About 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione

5,6-di(propan-2-yl)-1H-pyridine-2,4-dione (PubChem CID 23393318) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-1H-pyridine-2,4-dione
PubChem CID23393318
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5,6-di(propan-2-yl)-1H-pyridine-2,4-dione
SMILESCC(C)C1=C(C(C)C)C(=O)CC(=O)N1
InChIInChI=1S/C11H17NO2/c1-6(2)10-8(13)5-9(14)12-11(10)7(3)4/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyPFBOAAIIRGWLMX-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-di(propan-2-yl)cyclopent-2-en-1-one
CID 18551295
ethane;bis(2-methylpropane);4,5,6-tri(propan-2-yl)-1,3-dihydro-1,3-diazepin-2-one
CID 167544261
2-propan-2-yl-1,4-dihydroimidazol-5-one
CID 22898625
3-ethyl-2-propan-2-ylcyclopent-2-en-1-one
CID 89316357
4,6-ditert-butyl-7-propan-2-yl-3,5-dihydro-1H-1,4-diazepin-2-one
CID 70667313
5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one
CID 170792456
4-propan-2-yl-1,3-dihydroindol-2-one
CID 20698714
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
1-[1-(dimethylamino)propan-2-yl]-1,3-diazinane-2,4,6-trione
CID 112598154
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
4-propan-2-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 122696588
1,3-diazinane-2,4,6-trione;methane
CID 70575233

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione?
The IUPAC name of 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione (CID 23393318) is 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione.
What is the SMILES notation for 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione?
The canonical SMILES for 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione is CC(C)C1=C(C(C)C)C(=O)CC(=O)N1.
What is the InChIKey of 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione?
The InChIKey is PFBOAAIIRGWLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6(2)10-8(13)5-9(14)12-11(10)7(3)4/h6-7H,5H2,1-4H3,(H,12,14).
What are the key properties of 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione?
5,6-di(propan-2-yl)-1H-pyridine-2,4-dione has a molecular weight of 195.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-1H-pyridine-2,4-dione is sourced from PubChem (CID 23393318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).