4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile

C11H14N2O2 — CID 90458867

IUPAC4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile
SMILESCC(C)c1cc(N(C)C)c(C#N)c(=O)o1
InChIInChI=1S/C11H14N2O2/c1-7(2)10-5-9(13(3)4)8(6-12)11(14)15-10/h5,7H,1-4H3
InChIKeyJFNHXLWUMCBGCZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.70
Rot. Bonds2

About 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile

4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile (PubChem CID 90458867) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile
PubChem CID90458867
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile
SMILESCC(C)c1cc(N(C)C)c(C#N)c(=O)o1
InChIInChI=1S/C11H14N2O2/c1-7(2)10-5-9(13(3)4)8(6-12)11(14)15-10/h5,7H,1-4H3
InChIKeyJFNHXLWUMCBGCZ-UHFFFAOYSA-N
XLogP1.70
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile (CID 90458867) is 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile is CC(C)c1cc(N(C)C)c(C#N)c(=O)o1.
What is the InChIKey of 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile?
The InChIKey is JFNHXLWUMCBGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)10-5-9(13(3)4)8(6-12)11(14)15-10/h5,7H,1-4H3.
What are the key properties of 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile?
4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-oxo-6-propan-2-ylpyran-3-carbonitrile is sourced from PubChem (CID 90458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).