3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one

C12H11Cl2NO3 — CID 20820539

IUPAC3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(OC)cc(N2CC(Cl)=C(Cl)C2=O)c1
InChIInChI=1S/C12H11Cl2NO3/c1-17-8-3-7(4-9(5-8)18-2)15-6-10(13)11(14)12(15)16/h3-5H,6H2,1-2H3
InChIKeyCMGKLIPRYMHUAO-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.74
Rot. Bonds3

About 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one

3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 20820539) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID20820539
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(OC)cc(N2CC(Cl)=C(Cl)C2=O)c1
InChIInChI=1S/C12H11Cl2NO3/c1-17-8-3-7(4-9(5-8)18-2)15-6-10(13)11(14)12(15)16/h3-5H,6H2,1-2H3
InChIKeyCMGKLIPRYMHUAO-UHFFFAOYSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one (CID 20820539) is 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one is COc1cc(OC)cc(N2CC(Cl)=C(Cl)C2=O)c1.
What is the InChIKey of 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is CMGKLIPRYMHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c1-17-8-3-7(4-9(5-8)18-2)15-6-10(13)11(14)12(15)16/h3-5H,6H2,1-2H3.
What are the key properties of 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one?
3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 288.13 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(3,5-dimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 20820539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).