2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one

C11H11NO3 — CID 22224850

IUPAC2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(c2ccncc2)O1
InChIInChI=1S/C11H11NO3/c1-11(2)14-9(7-10(13)15-11)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyAMCNIDHBHUDTBK-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.73
Rot. Bonds1

About 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one

2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one (PubChem CID 22224850) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one
PubChem CID22224850
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(c2ccncc2)O1
InChIInChI=1S/C11H11NO3/c1-11(2)14-9(7-10(13)15-11)8-3-5-12-6-4-8/h3-7H,1-2H3
InChIKeyAMCNIDHBHUDTBK-UHFFFAOYSA-N
XLogP1.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl isonicotinate
CID 15291
Methyl isonicotinate
CID 227085
Methyl (2E)-3-(4-pyridinyl)-2-propenoate
CID 5357688
Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1)
CID 70984
Isonicotinic anhydride
CID 81529
(Pyridin-3-yl)methyl acetate
CID 295656
Ethyl-3-pyridine acrylate
CID 5371888
Anibine
CID 249887
Butyl isonicotinate
CID 83769
Isonicotinic acid, pentyl ester
CID 531655
Isonicotinic acid, hexyl ester
CID 531656
Isonicotinic acid, heptyl ester
CID 531657

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one?
The IUPAC name of 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one (CID 22224850) is 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one?
The canonical SMILES for 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(c2ccncc2)O1.
What is the InChIKey of 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one?
The InChIKey is AMCNIDHBHUDTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-11(2)14-9(7-10(13)15-11)8-3-5-12-6-4-8/h3-7H,1-2H3.
What are the key properties of 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one?
2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one has a molecular weight of 205.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-pyridin-4-yl-1,3-dioxin-4-one is sourced from PubChem (CID 22224850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).