(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one

C11H9FN2O — CID 74983111

IUPAC(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one
SMILESNC1=CNC(=O)/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-8-3-1-7(2-4-8)5-9-10(13)6-14-11(9)15/h1-6H,13H2,(H,14,15)/b9-5-
InChIKeyPWNQRZIIWZLSBE-UITAMQMPSA-N
MW204.20 g/mol
LogP1.14
Rot. Bonds1

About (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one

(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one (PubChem CID 74983111) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one.

Molecular Properties

Compound Name(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one
PubChem CID74983111
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one
SMILESNC1=CNC(=O)/C1=C\c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O/c12-8-3-1-7(2-4-8)5-9-10(13)6-14-11(9)15/h1-6H,13H2,(H,14,15)/b9-5-
InChIKeyPWNQRZIIWZLSBE-UITAMQMPSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one?
The IUPAC name of (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one (CID 74983111) is (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one.
What is the SMILES notation for (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one?
The canonical SMILES for (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one is NC1=CNC(=O)/C1=C\c1ccc(F)cc1.
What is the InChIKey of (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one?
The InChIKey is PWNQRZIIWZLSBE-UITAMQMPSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-8-3-1-7(2-4-8)5-9-10(13)6-14-11(9)15/h1-6H,13H2,(H,14,15)/b9-5-.
What are the key properties of (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one?
(3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one has a molecular weight of 204.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-amino-3-[(4-fluorophenyl)methylidene]-1H-pyrrol-2-one is sourced from PubChem (CID 74983111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).