4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one

C10H10FN3O3 — CID 43521187

IUPAC4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C10H10FN3O3/c11-8-2-1-7(14(16)17)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6H,3,5,12H2
InChIKeyVBYDRZGXHXBPRW-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one

4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one (PubChem CID 43521187) has the molecular formula C10H10FN3O3 and a molecular weight of 239.21 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
PubChem CID43521187
Molecular FormulaC10H10FN3O3
Molecular Weight239.21 g/mol
Exact Mass239.07
IUPAC Name4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C10H10FN3O3/c11-8-2-1-7(14(16)17)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6H,3,5,12H2
InChIKeyVBYDRZGXHXBPRW-UHFFFAOYSA-N
XLogP0.80
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168700438
1-(2-amino-5-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 168703542
4-(bromomethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168505729
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663711
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
[1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676957
4-amino-1-(4-nitronaphthalen-1-yl)pyrrolidin-2-one
CID 168700491
4-(aminomethyl)-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168660857
5-(4-amino-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168700498

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one (CID 43521187) is 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one?
The InChIKey is VBYDRZGXHXBPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3/c11-8-2-1-7(14(16)17)4-9(8)13-5-6(12)3-10(13)15/h1-2,4,6H,3,5,12H2.
What are the key properties of 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one?
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one has a molecular weight of 239.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 43521187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).