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

C16H13ClN2O2 — CID 11243533

IUPAC6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-11(4-6-12)15-9-14(19-7-1-2-8-19)13(10-18)16(20)21-15/h3-6,9H,1-2,7-8H2
InChIKeyWAYWQMQWDROCSU-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.43
Rot. Bonds2

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

6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (PubChem CID 11243533) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
PubChem CID11243533
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2)oc1=O
InChIInChI=1S/C16H13ClN2O2/c17-12-5-3-11(4-6-12)15-9-14(19-7-1-2-8-19)13(10-18)16(20)21-15/h3-6,9H,1-2,7-8H2
InChIKeyWAYWQMQWDROCSU-UHFFFAOYSA-N
XLogP3.43
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-5-[(E)-(dimethylamino)methylidene]-2-oxo-2,5-dihydro-3-furancarbonitrile
CID 1482484
3-chloro-6-(4-chlorophenyl)-4-(dimethylamino)-2H-pyran-2-one
CID 2805936
4-[2-Bromoethyl(methyl)amino]-6-(4-chlorophenyl)-2-oxopyran-3-carbonitrile
CID 90667005
6-(4-chlorophenyl)-3-cyano-4-(N-benzylpiperazino)-2h-pyran-2-one
CID 10960484
6-(4-Chlorophenyl)-4-piperidin-1-ylpyran-2-one
CID 85566267
6-(4-Chlorophenyl)-4-(dimethylamino)pyran-2-one
CID 85566270
6-(4-Chlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 11045270
2H-Pyran-3-carbonitrile, 2-oxo-6-phenyl-4-(1-pyrrolidinyl)-
CID 11129245
6-(4-Methylphenyl)-2-oxo-4-(pyrrolidin-1-yl)-2H-pyran-3-carbonitrile
CID 67394831
6-(4-Chlorophenyl)-4-(2-hydroxyethylamino)-2-oxopyran-3-carbonitrile
CID 12169839
6-(3,4-Dichlorophenyl)-2-oxo-4-piperidin-1-ylpyran-3-carbonitrile
CID 85999946
6-(4-chlorophenyl)-5-methyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carbonitrile
CID 123132209

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile (CID 11243533) is 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is N#Cc1c(N2CCCC2)cc(-c2ccc(Cl)cc2)oc1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The InChIKey is WAYWQMQWDROCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-5-3-11(4-6-12)15-9-14(19-7-1-2-8-19)13(10-18)16(20)21-15/h3-6,9H,1-2,7-8H2.
What are the key properties of 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile?
6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile has a molecular weight of 300.75 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-oxo-4-pyrrolidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 11243533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).