6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile

C16H12Cl2N2O2 — CID 164665657

IUPAC6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O
InChIInChI=1S/C16H12Cl2N2O2/c17-10-3-4-11(13(18)7-10)15-8-14(20-5-1-2-6-20)12(9-19)16(21)22-15/h3-4,7-8H,1-2,5-6H2
InChIKeyZUJSVAKGJPXHEG-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.09
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile

6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (PubChem CID 164665657) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
PubChem CID164665657
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O
InChIInChI=1S/C16H12Cl2N2O2/c17-10-3-4-11(13(18)7-10)15-8-14(20-5-1-2-6-20)12(9-19)16(21)22-15/h3-4,7-8H,1-2,5-6H2
InChIKeyZUJSVAKGJPXHEG-UHFFFAOYSA-N
XLogP4.09
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (CID 164665657) is 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is N#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2Cl)oc1=O.
What is the InChIKey of 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The InChIKey is ZUJSVAKGJPXHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-10-3-4-11(13(18)7-10)15-8-14(20-5-1-2-6-20)12(9-19)16(21)22-15/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile has a molecular weight of 335.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 164665657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).