1-(4-fluorobenzoyl)pyrrolidin-2-one

C11H10FNO2 — CID 790873

IUPAC1-(4-fluorobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyGMHITRLRULNSNA-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.59
Rot. Bonds1

About 1-(4-fluorobenzoyl)pyrrolidin-2-one

1-(4-fluorobenzoyl)pyrrolidin-2-one (PubChem CID 790873) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)pyrrolidin-2-one
PubChem CID790873
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name1-(4-fluorobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2
InChIKeyGMHITRLRULNSNA-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorobenzoyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorobenzoyl)pyrrolidin-2-one (CID 790873) is 1-(4-fluorobenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorobenzoyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorobenzoyl)pyrrolidin-2-one?
The InChIKey is GMHITRLRULNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-9-5-3-8(4-6-9)11(15)13-7-1-2-10(13)14/h3-6H,1-2,7H2.
What are the key properties of 1-(4-fluorobenzoyl)pyrrolidin-2-one?
1-(4-fluorobenzoyl)pyrrolidin-2-one has a molecular weight of 207.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 790873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).