3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one

C16H15FN4O2 — CID 3759930

IUPAC3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1C(C=NOCc2ccc(F)cc2)CCN1c1ncccn1
InChIInChI=1S/C16H15FN4O2/c17-14-4-2-12(3-5-14)11-23-20-10-13-6-9-21(15(13)22)16-18-7-1-8-19-16/h1-5,7-8,10,13H,6,9,11H2
InChIKeyHHTMPNJOMVCUJI-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.17
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one

3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one (PubChem CID 3759930) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one
PubChem CID3759930
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one
SMILESO=C1C(C=NOCc2ccc(F)cc2)CCN1c1ncccn1
InChIInChI=1S/C16H15FN4O2/c17-14-4-2-12(3-5-14)11-23-20-10-13-6-9-21(15(13)22)16-18-7-1-8-19-16/h1-5,7-8,10,13H,6,9,11H2
InChIKeyHHTMPNJOMVCUJI-UHFFFAOYSA-N
XLogP2.17
TPSA67.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one (CID 3759930) is 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one is O=C1C(C=NOCc2ccc(F)cc2)CCN1c1ncccn1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one?
The InChIKey is HHTMPNJOMVCUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-14-4-2-12(3-5-14)11-23-20-10-13-6-9-21(15(13)22)16-18-7-1-8-19-16/h1-5,7-8,10,13H,6,9,11H2.
What are the key properties of 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one?
3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one has a molecular weight of 314.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxyiminomethyl]-1-pyrimidin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 3759930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).