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

C12H12ClNO3 — CID 20727648

IUPAC1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cc(Cl)ccc2O)C(=O)C1C
InChIInChI=1S/C12H12ClNO3/c1-6-7(2)12(17)14(11(6)16)9-5-8(13)3-4-10(9)15/h3-7,15H,1-2H3
InChIKeyBDQACKNLHHWQHK-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.19
Rot. Bonds1

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

1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 20727648) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID20727648
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cc(Cl)ccc2O)C(=O)C1C
InChIInChI=1S/C12H12ClNO3/c1-6-7(2)12(17)14(11(6)16)9-5-8(13)3-4-10(9)15/h3-7,15H,1-2H3
InChIKeyBDQACKNLHHWQHK-UHFFFAOYSA-N
XLogP2.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-5-chlorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500313
(3aS,5S,6R,7aR)-5,6-dibromo-2-(5-chloro-2-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100807758
(1S,2S,6S,7S)-4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98106931
(15S,19R)-17-(5-chloro-2-hydroxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1217273
(1S,2R,6R,7R,8R,9R)-8,9-dibromo-4-(5-chloro-2-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 100807755
(1S,2R,6S,7S,8R,10R)-4-(5-chloro-2-hydroxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124715224
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
1-(5-chloro-2-hydroxyphenyl)-3,4-dihydroxy-6-(trifluoromethyl)-3H-quinoxalin-2-one
CID 67784805
1-(5-chloro-2-hydroxyphenyl)-4-methyl-5-methylidene-2-oxopyrrole-3-carbonitrile
CID 52943608
(3aR,7aS)-2-(4-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 715226
2-(4-chloro-2-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2900372
2-(5-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 777395

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 20727648) is 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2cc(Cl)ccc2O)C(=O)C1C.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is BDQACKNLHHWQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-6-7(2)12(17)14(11(6)16)9-5-8(13)3-4-10(9)15/h3-7,15H,1-2H3.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 253.68 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 20727648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).