1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione

C12H11NO3 — CID 880984

IUPAC1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-7H,1-2H3
InChIKeyNEALMGIANCOYCS-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.51
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione

1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione (PubChem CID 880984) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
PubChem CID880984
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione
SMILESCOc1cccc(N2C(=O)C=C(C)C2=O)c1
InChIInChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-7H,1-2H3
InChIKeyNEALMGIANCOYCS-UHFFFAOYSA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-ethenoxyethoxy)phenyl]-3-methylpyrrole-2,5-dione
CID 59193557
1-(4-amino-3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 61350366
3-(3-methyl-2,5-dioxopyrrol-1-yl)benzamide
CID 113224926
1-[3-(hydroxymethyl)phenyl]-3-methylpyrrole-2,5-dione
CID 61207713
1-[5-methoxy-2-[4-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]sulfanylphenyl]-3-methylpyrrole-2,5-dione
CID 54133194
3-methyl-1-[3-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]phenyl]pyrrole-2,5-dione
CID 56988423
5-methoxy-2-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid
CID 115411271
6-amino-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115003951
1-(1,3-dioxo-2-benzofuran-5-yl)-3-methylpyrrole-2,5-dione
CID 88791034
1-(3-methoxyphenyl)-3-methylidenepyrrolidine-2,5-dione
CID 14449114
[3-(2,5-dioxopyrrol-1-yl)phenyl] 2-methylprop-2-enoate;[4-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl] acetate
CID 161129264
1-(2-methoxy-5-methylphenyl)-3-methylpyrrole-2,5-dione
CID 43090977

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione (CID 880984) is 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione is COc1cccc(N2C(=O)C=C(C)C2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is NEALMGIANCOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-6-11(14)13(12(8)15)9-4-3-5-10(7-9)16-2/h3-7H,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione?
1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 217.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 880984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).