1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one

C12H11FN2O5 — CID 2572376

IUPAC1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11FN2O5/c13-8-3-4-9(15(18)19)10(6-8)20-7-12(17)14-5-1-2-11(14)16/h3-4,6H,1-2,5,7H2
InChIKeyFXTSLVOIPRKOHQ-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.26
Rot. Bonds4

About 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one

1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one (PubChem CID 2572376) has the molecular formula C12H11FN2O5 and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
PubChem CID2572376
Molecular FormulaC12H11FN2O5
Molecular Weight282.23 g/mol
Exact Mass282.07
IUPAC Name1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11FN2O5/c13-8-3-4-9(15(18)19)10(6-8)20-7-12(17)14-5-1-2-11(14)16/h3-4,6H,1-2,5,7H2
InChIKeyFXTSLVOIPRKOHQ-UHFFFAOYSA-N
XLogP1.26
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
1-[2-(4-Methoxy-2-nitrophenoxy)acetyl]pyrrolidin-2-one
CID 7473408
1-[2-(2-Nitrophenoxy)ethyl]pyrrolidine
CID 868463
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2570272
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2563567
Aziridine, 1-((4-nitrophenoxy)acetyl)-
CID 54327
2-(2-nitrophenoxy)-N-propylacetamide
CID 2500409
1-[2-(2-Nitrophenoxy)acetyl]pyrrolidin-2-one
CID 482235
N-butyl-2-(2-nitrophenoxy)acetamide
CID 2500379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one (CID 2572376) is 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one?
The InChIKey is FXTSLVOIPRKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5/c13-8-3-4-9(15(18)19)10(6-8)20-7-12(17)14-5-1-2-11(14)16/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one?
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one has a molecular weight of 282.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-nitrophenoxy)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 2572376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).