1-[2-(4-nitrophenyl)ethyl]pyridin-2-one

C13H12N2O3 — CID 116618476

IUPAC1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O3/c16-13-3-1-2-9-14(13)10-8-11-4-6-12(7-5-11)15(17)18/h1-7,9H,8,10H2
InChIKeyUPGNCMVOXRWTMP-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one

1-[2-(4-nitrophenyl)ethyl]pyridin-2-one (PubChem CID 116618476) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
PubChem CID116618476
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-[2-(4-nitrophenyl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N2O3/c16-13-3-1-2-9-14(13)10-8-11-4-6-12(7-5-11)15(17)18/h1-7,9H,8,10H2
InChIKeyUPGNCMVOXRWTMP-UHFFFAOYSA-N
XLogP2.00
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
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

1-[2-(4-nitrophenyl)ethyl]-2-oxopyridine-4-carboxylic acid
CID 82898260
1-[2-(4-nitrophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 43520066
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
CID 171776955
1-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-one
CID 38895977
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
5-benzyl-3-[2-(4-nitrophenyl)ethyl]imidazolidine-2,4-dione
CID 19752551
4-[2-(4-nitrophenyl)ethyl]-1,2,4-triazole
CID 86098607
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
1-[(4-nitrophenyl)methyl]pyridin-2-imine
CID 14146119
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
2-(chloromethyl)-1-[2-(4-nitrophenyl)ethyl]imidazole
CID 62223074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one (CID 116618476) is 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one is O=c1ccccn1CCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one?
The InChIKey is UPGNCMVOXRWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-13-3-1-2-9-14(13)10-8-11-4-6-12(7-5-11)15(17)18/h1-7,9H,8,10H2.
What are the key properties of 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one?
1-[2-(4-nitrophenyl)ethyl]pyridin-2-one has a molecular weight of 244.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 116618476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).