6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one

C15H14ClNO2 — CID 24976347

IUPAC6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one
SMILESO=c1cc(N2CCCC2)cc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO2/c16-12-5-3-11(4-6-12)14-9-13(10-15(18)19-14)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2
InChIKeyOJOTWCBGYIDIQV-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.56
Rot. Bonds2

About 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one

6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one (PubChem CID 24976347) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one
PubChem CID24976347
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one
SMILESO=c1cc(N2CCCC2)cc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H14ClNO2/c16-12-5-3-11(4-6-12)14-9-13(10-15(18)19-14)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2
InChIKeyOJOTWCBGYIDIQV-UHFFFAOYSA-N
XLogP3.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one?
The IUPAC name of 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one (CID 24976347) is 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one is O=c1cc(N2CCCC2)cc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one?
The InChIKey is OJOTWCBGYIDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-12-5-3-11(4-6-12)14-9-13(10-15(18)19-14)17-7-1-2-8-17/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one?
6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one has a molecular weight of 275.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-pyrrolidin-1-ylpyran-2-one is sourced from PubChem (CID 24976347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).