4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile

C14H12N2O2 — CID 11031992

IUPAC4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccccc2)oc(=O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-16(2)12-8-13(10-6-4-3-5-7-10)18-14(17)11(12)9-15/h3-8H,1-2H3
InChIKeyRDVZENFCWYBTOT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.24
Rot. Bonds2

About 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile

4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile (PubChem CID 11031992) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
PubChem CID11031992
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile
SMILESCN(C)c1cc(-c2ccccc2)oc(=O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-16(2)12-8-13(10-6-4-3-5-7-10)18-14(17)11(12)9-15/h3-8H,1-2H3
InChIKeyRDVZENFCWYBTOT-UHFFFAOYSA-N
XLogP2.24
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.24
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-phenylpyran-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile (CID 11031992) is 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile is CN(C)c1cc(-c2ccccc2)oc(=O)c1C#N.
What is the InChIKey of 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
The InChIKey is RDVZENFCWYBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16(2)12-8-13(10-6-4-3-5-7-10)18-14(17)11(12)9-15/h3-8H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile?
4-(dimethylamino)-2-oxo-6-phenylpyran-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.24, 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-phenylpyran-3-carbonitrile is sourced from PubChem (CID 11031992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).