3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one

C14H15Cl2NO2 — CID 54721921

IUPAC3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCc1cc(Cl)c(C2=C(O)C(C)(C)NC2=O)c(C)c1Cl
InChIInChI=1S/C14H15Cl2NO2/c1-6-5-8(15)9(7(2)11(6)16)10-12(18)14(3,4)17-13(10)19/h5,18H,1-4H3,(H,17,19)
InChIKeyRUEOYPQVXHOPRJ-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.79
Rot. Bonds1

About 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one

3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one (PubChem CID 54721921) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
PubChem CID54721921
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCc1cc(Cl)c(C2=C(O)C(C)(C)NC2=O)c(C)c1Cl
InChIInChI=1S/C14H15Cl2NO2/c1-6-5-8(15)9(7(2)11(6)16)10-12(18)14(3,4)17-13(10)19/h5,18H,1-4H3,(H,17,19)
InChIKeyRUEOYPQVXHOPRJ-UHFFFAOYSA-N
XLogP3.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The IUPAC name of 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one (CID 54721921) is 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The canonical SMILES for 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one is Cc1cc(Cl)c(C2=C(O)C(C)(C)NC2=O)c(C)c1Cl.
What is the InChIKey of 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The InChIKey is RUEOYPQVXHOPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-6-5-8(15)9(7(2)11(6)16)10-12(18)14(3,4)17-13(10)19/h5,18H,1-4H3,(H,17,19).
What are the key properties of 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one has a molecular weight of 300.19 g/mol, XLogP of 3.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dichloro-2,4-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 54721921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).