3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one

C14H19Cl2NO3 — CID 156723499

IUPAC3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(CO)C(=O)N1CCCC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H15NO2.C6H4Cl2O/c1-7(6-10)8(11)9-4-2-3-5-9;7-5-2-1-4(9)3-6(5)8/h7,10H,2-6H2,1H3;1-3,9H
InChIKeyPYRPOGXFDQAMKS-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.94
Rot. Bonds2

About 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one

3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 156723499) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID156723499
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(CO)C(=O)N1CCCC1.Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H15NO2.C6H4Cl2O/c1-7(6-10)8(11)9-4-2-3-5-9;7-5-2-1-4(9)3-6(5)8/h7,10H,2-6H2,1H3;1-3,9H
InChIKeyPYRPOGXFDQAMKS-UHFFFAOYSA-N
XLogP2.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 156723499) is 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(CO)C(=O)N1CCCC1.Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PYRPOGXFDQAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H4Cl2O/c1-7(6-10)8(11)9-4-2-3-5-9;7-5-2-1-4(9)3-6(5)8/h7,10H,2-6H2,1H3;1-3,9H.
What are the key properties of 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 320.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorophenol;3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 156723499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).