2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile

C16H14N2O2 — CID 11129245

IUPAC2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C16H14N2O2/c17-11-13-14(18-8-4-5-9-18)10-15(20-16(13)19)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyHOKXHJKMZVTIJZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.78
Rot. Bonds2

About 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile

2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile (PubChem CID 11129245) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile
PubChem CID11129245
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile
SMILESN#Cc1c(N2CCCC2)cc(-c2ccccc2)oc1=O
InChIInChI=1S/C16H14N2O2/c17-11-13-14(18-8-4-5-9-18)10-15(20-16(13)19)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9H2
InChIKeyHOKXHJKMZVTIJZ-UHFFFAOYSA-N
XLogP2.78
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The IUPAC name of 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile (CID 11129245) is 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The canonical SMILES for 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile is N#Cc1c(N2CCCC2)cc(-c2ccccc2)oc1=O.
What is the InChIKey of 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile?
The InChIKey is HOKXHJKMZVTIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-11-13-14(18-8-4-5-9-18)10-15(20-16(13)19)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile?
2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-phenyl-4-pyrrolidin-1-ylpyran-3-carbonitrile is sourced from PubChem (CID 11129245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).