1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H11FN2O4 — CID 168663711

IUPAC1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11FN2O4/c12-9-4-8(14(17)18)1-2-10(9)13-5-7(6-15)3-11(13)16/h1-2,4,7,15H,3,5-6H2
InChIKeyPIYHZYLJZMUAOM-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.08
Rot. Bonds3

About 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168663711) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168663711
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H11FN2O4/c12-9-4-8(14(17)18)1-2-10(9)13-5-7(6-15)3-11(13)16/h1-2,4,7,15H,3,5-6H2
InChIKeyPIYHZYLJZMUAOM-UHFFFAOYSA-N
XLogP1.08
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.08
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-(bromomethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168505729
4-(aminomethyl)-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168660857
1-(2-hydroxy-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671735
1-(2-amino-4-nitrophenyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657979
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-5-nitrobenzoic acid
CID 168505727
S-[[1-[2-(hydroxymethyl)-4-nitrophenyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668132
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
1-(2-chloro-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671730
[1-(2-hydroxy-5-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676957
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663840
3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 63788071
4-(azidomethyl)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-one
CID 168657975

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168663711) is 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is PIYHZYLJZMUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-9-4-8(14(17)18)1-2-10(9)13-5-7(6-15)3-11(13)16/h1-2,4,7,15H,3,5-6H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 254.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-nitrophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168663711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).