1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one

C18H16N2O5 — CID 8647905

IUPAC1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N2O5/c21-17(12-25-16-9-7-15(8-10-16)20(23)24)13-3-5-14(6-4-13)19-11-1-2-18(19)22/h3-10H,1-2,11-12H2
InChIKeyVOFVUEPPDUGLSB-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.98
Rot. Bonds6

About 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one (PubChem CID 8647905) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
PubChem CID8647905
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H16N2O5/c21-17(12-25-16-9-7-15(8-10-16)20(23)24)13-3-5-14(6-4-13)19-11-1-2-18(19)22/h3-10H,1-2,11-12H2
InChIKeyVOFVUEPPDUGLSB-UHFFFAOYSA-N
XLogP2.98
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.98
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

1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8880766
1-(4-nitrophenyl)azepan-2-one
CID 58962770
4-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551036
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenoxy)ethanone
CID 33494891

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one (CID 8647905) is 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one is O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is VOFVUEPPDUGLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-17(12-25-16-9-7-15(8-10-16)20(23)24)13-3-5-14(6-4-13)19-11-1-2-18(19)22/h3-10H,1-2,11-12H2.
What are the key properties of 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 340.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8647905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).