1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

C11H9NO3 — CID 308434

IUPAC1-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOC1=CC=CC(=C1)N2C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-7H,1H3
InChIKeyUNCUTNPWBZKJHD-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione (PubChem CID 308434) has the molecular formula C11H9NO3 and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
PubChem CID308434
Molecular FormulaC11H9NO3
Molecular Weight203.19 g/mol
Exact Mass203.06
IUPAC Name1-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOC1=CC=CC(=C1)N2C(=O)C=CC2=O
InChIInChI=1S/C11H9NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-7H,1H3
InChIKeyUNCUTNPWBZKJHD-UHFFFAOYSA-N
XLogP1.10
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity293

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.10
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

Neostigmine
CID 4456
Acetamide, N-(3-methoxyphenyl)-
CID 11494
3'-Ethoxyacetanilide
CID 11570
N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
N-(4-methoxyphenyl)acrylamide
CID 82197
N,N-Diethyl-m-phenetidine
CID 74625
Ucm 793
CID 24750192
1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
3-Ureidoanisole
CID 101483
N-(2-Methoxyphenyl)maleimide
CID 97695
N-(3-methoxyphenyl)pivalamide
CID 546358
1-(2,5-Dimethoxyphenyl)-1H-pyrrole-2,5-dione
CID 616263

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione (CID 308434) is 1-(3-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione is COC1=CC=CC(=C1)N2C(=O)C=CC2=O.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione?
The InChIKey is UNCUTNPWBZKJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-7H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione?
1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione has a molecular weight of 203.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione is sourced from PubChem (CID 308434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).