2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one

C13H19NO — CID 123928500

IUPAC2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one
SMILESC=CC=C(C)C1C=C(C)C(=O)NC1(C)C
InChIInChI=1S/C13H19NO/c1-6-7-9(2)11-8-10(3)12(15)14-13(11,4)5/h6-8,11H,1H2,2-5H3,(H,14,15)
InChIKeyUGMUKYPOUAOZPS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.59
Rot. Bonds2

About 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one

2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one (PubChem CID 123928500) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one
PubChem CID123928500
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one
SMILESC=CC=C(C)C1C=C(C)C(=O)NC1(C)C
InChIInChI=1S/C13H19NO/c1-6-7-9(2)11-8-10(3)12(15)14-13(11,4)5/h6-8,11H,1H2,2-5H3,(H,14,15)
InChIKeyUGMUKYPOUAOZPS-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one?
The IUPAC name of 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one (CID 123928500) is 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one?
The canonical SMILES for 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one is C=CC=C(C)C1C=C(C)C(=O)NC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one?
The InChIKey is UGMUKYPOUAOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-6-7-9(2)11-8-10(3)12(15)14-13(11,4)5/h6-8,11H,1H2,2-5H3,(H,14,15).
What are the key properties of 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one?
2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one has a molecular weight of 205.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-3-penta-2,4-dien-2-yl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 123928500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).