1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione

C14H16ClNO3 — CID 64787339

IUPAC1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(O)c(Cl)c2)C1=O
InChIInChI=1S/C14H16ClNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3
InChIKeyIWJKZJAMGJWMSH-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.12
Rot. Bonds3

About 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione

1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 64787339) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID64787339
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(c2ccc(O)c(Cl)c2)C1=O
InChIInChI=1S/C14H16ClNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3
InChIKeyIWJKZJAMGJWMSH-UHFFFAOYSA-N
XLogP3.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione (CID 64787339) is 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(c2ccc(O)c(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is IWJKZJAMGJWMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-3-14(4-2)8-12(18)16(13(14)19)9-5-6-11(17)10(15)7-9/h5-7,17H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 281.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 64787339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).