2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one

C11H12N2O — CID 141068352

IUPAC2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=CC(=O)NC1c1ccc(N)cc1
InChIInChI=1S/C11H12N2O/c1-7-6-10(14)13-11(7)8-2-4-9(12)5-3-8/h2-6,11H,12H2,1H3,(H,13,14)
InChIKeyZBKZCBMKUONLTE-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds1

About 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one

2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one (PubChem CID 141068352) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one
PubChem CID141068352
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=CC(=O)NC1c1ccc(N)cc1
InChIInChI=1S/C11H12N2O/c1-7-6-10(14)13-11(7)8-2-4-9(12)5-3-8/h2-6,11H,12H2,1H3,(H,13,14)
InChIKeyZBKZCBMKUONLTE-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one (CID 141068352) is 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one is CC1=CC(=O)NC1c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is ZBKZCBMKUONLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-6-10(14)13-11(7)8-2-4-9(12)5-3-8/h2-6,11H,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one?
2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 188.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 141068352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).