1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione

C11H9NO3 — CID 101191182

IUPAC1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2cccc(O)c2)C1=O
InChIInChI=1S/C11H9NO3/c1-7-5-10(14)12(11(7)15)8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2
InChIKeyLBPJHQTUOIYMKF-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.21
Rot. Bonds1

About 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione

1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione (PubChem CID 101191182) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione
PubChem CID101191182
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)N(c2cccc(O)c2)C1=O
InChIInChI=1S/C11H9NO3/c1-7-5-10(14)12(11(7)15)8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2
InChIKeyLBPJHQTUOIYMKF-UHFFFAOYSA-N
XLogP1.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
3-methylidene-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 155351156
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
(3aR,7aR)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 866454
3-methylidene-1-[3-[4-[3-[4-[6-(3-methylidene-2,5-dioxopyrrolidin-1-yl)-2,4-dihydro-1,3-benzoxazin-3-yl]phenoxy]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]pyrrolidine-2,5-dione
CID 170389627
1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 736761
(3aS,4R,7S,7aR)-2-(3-hydroxyphenyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 11896551
1-(3-hydroxyphenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 60886395
1-(3-hydroxyphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
CID 83889206
(1R,2S,6S,7R,8S,10S)-4-(3-hydroxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98143174
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione (CID 101191182) is 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)N(c2cccc(O)c2)C1=O.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
The InChIKey is LBPJHQTUOIYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7-5-10(14)12(11(7)15)8-3-2-4-9(13)6-8/h2-4,6,13H,1,5H2.
What are the key properties of 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione?
1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione has a molecular weight of 203.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 101191182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).