1-[4-(methylamino)phenyl]pyrrole-2,5-dione

C11H10N2O2 — CID 86170375

IUPAC1-[4-(methylamino)phenyl]pyrrole-2,5-dione
SMILESCNc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C11H10N2O2/c1-12-8-2-4-9(5-3-8)13-10(14)6-7-11(13)15/h2-7,12H,1H3
InChIKeyJSNPOFZTLKAHDN-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.16
Rot. Bonds2

About 1-[4-(methylamino)phenyl]pyrrole-2,5-dione

1-[4-(methylamino)phenyl]pyrrole-2,5-dione (PubChem CID 86170375) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-[4-(methylamino)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(methylamino)phenyl]pyrrole-2,5-dione
PubChem CID86170375
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-[4-(methylamino)phenyl]pyrrole-2,5-dione
SMILESCNc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C11H10N2O2/c1-12-8-2-4-9(5-3-8)13-10(14)6-7-11(13)15/h2-7,12H,1H3
InChIKeyJSNPOFZTLKAHDN-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.16
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-[4-(methylamino)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(methylamino)phenyl]pyrrole-2,5-dione (CID 86170375) is 1-[4-(methylamino)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(methylamino)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(methylamino)phenyl]pyrrole-2,5-dione is CNc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-(methylamino)phenyl]pyrrole-2,5-dione?
The InChIKey is JSNPOFZTLKAHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-12-8-2-4-9(5-3-8)13-10(14)6-7-11(13)15/h2-7,12H,1H3.
What are the key properties of 1-[4-(methylamino)phenyl]pyrrole-2,5-dione?
1-[4-(methylamino)phenyl]pyrrole-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 86170375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).